(Q76415133)

English

(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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235.157228912 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(1R,2S)-2-(Aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₄H₂₁NO₂

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canonical SMILES

COc1cccc(C2(O)CCCCC2CN)c1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC1=CC=CC(=C1)[C@]2(CCCC[C@@H]2CN)O

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Identifiers

InChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3/t12-,14+/m1/s1

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QNPPIKMBCJUUTG-OCCSQVGLSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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matched by identifier from

QNPPIKMBCJUUTG-OCCSQVGLSA-N

mapping relation type

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ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3/t12-,14+/m1/s1

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID401204297

1 reference

matched by identifier from

QNPPIKMBCJUUTG-OCCSQVGLSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QNPPIKMBCJUUTG-OCCSQVGLSA-N

1 reference

matched by identifier from

QNPPIKMBCJUUTG-OCCSQVGLSA-N

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