4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol

C13H19NO2 — CID 58785260

IUPAC4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
SMILESCOc1cc([C@@H]2CCCC[C@H]2N)ccc1O
InChIInChI=1S/C13H19NO2/c1-16-13-8-9(6-7-12(13)15)10-4-2-3-5-11(10)14/h6-8,10-11,15H,2-5,14H2,1H3/t10-,11+/m0/s1
InChIKeyBEWNJUDBWPKZRA-WDEREUQCSA-N
MW221.30 g/mol
LogP2.39
Rot. Bonds2

About 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol

4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol (PubChem CID 58785260) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
PubChem CID58785260
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol
SMILESCOc1cc([C@@H]2CCCC[C@H]2N)ccc1O
InChIInChI=1S/C13H19NO2/c1-16-13-8-9(6-7-12(13)15)10-4-2-3-5-11(10)14/h6-8,10-11,15H,2-5,14H2,1H3/t10-,11+/m0/s1
InChIKeyBEWNJUDBWPKZRA-WDEREUQCSA-N
XLogP2.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2S)-2-[3-(difluoromethoxy)-4-methoxyphenyl]cyclohexan-1-amine
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2-methoxy-4-[2-(methylaminomethyl)cyclopropyl]phenol
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2,5-bis(4-hydroxy-3-methoxyphenyl)cyclopentan-1-one
CID 100938571
2-(3,4-diethoxyphenyl)cyclopentan-1-amine
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2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
4-[3-(4-hydroxy-3-methoxyphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-yl]-2-methoxyphenol
CID 162838904
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
2-methoxy-4-[(1S,2S,4R,6S)-5,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 21174044
2-(3-cyclopentyloxy-4-methoxyphenyl)cyclopropan-1-amine
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(5R)-5-(4-hydroxy-3-methoxyphenyl)imidazolidine-2,4-dione
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2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol?
The IUPAC name of 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol (CID 58785260) is 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol?
The canonical SMILES for 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol is COc1cc([C@@H]2CCCC[C@H]2N)ccc1O.
What is the InChIKey of 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol?
The InChIKey is BEWNJUDBWPKZRA-WDEREUQCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13-8-9(6-7-12(13)15)10-4-2-3-5-11(10)14/h6-8,10-11,15H,2-5,14H2,1H3/t10-,11+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol?
4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol has a molecular weight of 221.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-aminocyclohexyl]-2-methoxyphenol is sourced from PubChem (CID 58785260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).