5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol

C14H21NO2 — CID 171218830

IUPAC5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N)C2CCCCC2)cc1O
InChIInChI=1S/C14H21NO2/c1-17-13-8-7-11(9-12(13)16)14(15)10-5-3-2-4-6-10/h7-10,14,16H,2-6,15H2,1H3/t14-/m0/s1
InChIKeyIMZJRBTVGAKSFF-AWEZNQCLSA-N
MW235.33 g/mol
LogP2.98
Rot. Bonds3

About 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol

5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol (PubChem CID 171218830) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
PubChem CID171218830
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
SMILESCOc1ccc([C@@H](N)C2CCCCC2)cc1O
InChIInChI=1S/C14H21NO2/c1-17-13-8-7-11(9-12(13)16)14(15)10-5-3-2-4-6-10/h7-10,14,16H,2-6,15H2,1H3/t14-/m0/s1
InChIKeyIMZJRBTVGAKSFF-AWEZNQCLSA-N
XLogP2.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
cyclopentyl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 82086619
5-[(1R,2S)-1-amino-2-cyclobutyl-2-hydroxyethyl]-2-methoxyphenol;hydrochloride
CID 171160739
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510
4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
CID 131343814
[4-[(R)-amino(cyclobutyl)methyl]-2-hydroxyphenyl] acetate;hydrochloride
CID 171214108
(R)-cyclobutyl-(4-methoxy-3-methylphenyl)methanamine;hydrochloride
CID 171213709
5-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-2-methoxyphenol
CID 171160742
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118

Frequently Asked Questions

What is the IUPAC name of 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol (CID 171218830) is 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol is COc1ccc([C@@H](N)C2CCCCC2)cc1O.
What is the InChIKey of 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol?
The InChIKey is IMZJRBTVGAKSFF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-13-8-7-11(9-12(13)16)14(15)10-5-3-2-4-6-10/h7-10,14,16H,2-6,15H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol?
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol has a molecular weight of 235.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol is sourced from PubChem (CID 171218830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).