(2-amino-4-methoxyphenyl)-cyclohexylmethanol

C14H21NO2 — CID 105496696

IUPAC(2-amino-4-methoxyphenyl)-cyclohexylmethanol
SMILESCOc1ccc(C(O)C2CCCCC2)c(N)c1
InChIInChI=1S/C14H21NO2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h7-10,14,16H,2-6,15H2,1H3
InChIKeyZPSJTMKOZBLFGD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.89
Rot. Bonds3

About (2-amino-4-methoxyphenyl)-cyclohexylmethanol

(2-amino-4-methoxyphenyl)-cyclohexylmethanol (PubChem CID 105496696) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-cyclohexylmethanol.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-cyclohexylmethanol
PubChem CID105496696
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2-amino-4-methoxyphenyl)-cyclohexylmethanol
SMILESCOc1ccc(C(O)C2CCCCC2)c(N)c1
InChIInChI=1S/C14H21NO2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h7-10,14,16H,2-6,15H2,1H3
InChIKeyZPSJTMKOZBLFGD-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 105480449
(2-amino-5-methoxyphenyl)-cyclopropylmethanol
CID 105447147
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-5-methoxyphenol
CID 171261289
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171159983
(2-amino-3-methoxyphenyl)-cyclohexylmethanol
CID 105496694
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
(1R,2S)-2-amino-1-cyclohexyl-2-(2,5-dimethoxyphenyl)ethanol;hydrochloride
CID 171162374
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
[bromo-(2-bromo-4-methoxyphenyl)methyl]cyclooctane
CID 65021185
(1S,2R)-2-amino-1-cyclobutyl-2-(2,4-dimethoxyphenyl)ethanol
CID 171161039
(2,4-dimethoxyphenyl)-piperidin-4-ylmethanol
CID 79024060
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560362

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-cyclohexylmethanol?
The IUPAC name of (2-amino-4-methoxyphenyl)-cyclohexylmethanol (CID 105496696) is (2-amino-4-methoxyphenyl)-cyclohexylmethanol.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-cyclohexylmethanol?
The canonical SMILES for (2-amino-4-methoxyphenyl)-cyclohexylmethanol is COc1ccc(C(O)C2CCCCC2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-cyclohexylmethanol?
The InChIKey is ZPSJTMKOZBLFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h7-10,14,16H,2-6,15H2,1H3.
What are the key properties of (2-amino-4-methoxyphenyl)-cyclohexylmethanol?
(2-amino-4-methoxyphenyl)-cyclohexylmethanol has a molecular weight of 235.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-cyclohexylmethanol is sourced from PubChem (CID 105496696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).