2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol

C14H21NO2 — CID 171235941

IUPAC2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1[C@@H](N)C1CCCCC1
InChIInChI=1S/C14H21NO2/c1-17-12-9-5-8-11(16)13(12)14(15)10-6-3-2-4-7-10/h5,8-10,14,16H,2-4,6-7,15H2,1H3/t14-/m0/s1
InChIKeyBIKVKWMDIPLLLL-AWEZNQCLSA-N
MW235.33 g/mol
LogP2.98
Rot. Bonds3

About 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol

2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol (PubChem CID 171235941) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
PubChem CID171235941
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
SMILESCOc1cccc(O)c1[C@@H](N)C1CCCCC1
InChIInChI=1S/C14H21NO2/c1-17-12-9-5-8-11(16)13(12)14(15)10-6-3-2-4-7-10/h5,8-10,14,16H,2-4,6-7,15H2,1H3/t14-/m0/s1
InChIKeyBIKVKWMDIPLLLL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3-methoxyphenol;hydrochloride
CID 171266126
(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900
(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
CID 171220722
(1R,2S)-2-amino-1-cyclohexyl-2-(2,6-dimethoxyphenyl)ethanol;hydrochloride
CID 171267091
2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207108
2-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol
CID 171216296
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
CID 167712997
5-[(S)-amino(cyclohexyl)methyl]-2-methoxyphenol
CID 171218830
(R)-cyclopentyl-(2-methoxyphenyl)methanamine;hydrochloride
CID 171200457
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol?
The IUPAC name of 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol (CID 171235941) is 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol.
What is the SMILES notation for 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol?
The canonical SMILES for 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol is COc1cccc(O)c1[C@@H](N)C1CCCCC1.
What is the InChIKey of 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol?
The InChIKey is BIKVKWMDIPLLLL-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-12-9-5-8-11(16)13(12)14(15)10-6-3-2-4-7-10/h5,8-10,14,16H,2-4,6-7,15H2,1H3/t14-/m0/s1.
What are the key properties of 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol?
2-[(S)-amino(cyclohexyl)methyl]-3-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 2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol is sourced from PubChem (CID 171235941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).