1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

C15H23NO2 — CID 57165649

IUPAC1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(N)CC2(O)CCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(16)11-15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3
InChIKeyYHBGMGJRLBSNGZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds4

About 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol

1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol (PubChem CID 57165649) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
PubChem CID57165649
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCOc1ccc(C(N)CC2(O)CCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(16)11-15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3
InChIKeyYHBGMGJRLBSNGZ-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 68843793
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
1-[2-dimethylarsanyl-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol;hydrochloride
CID 87689305
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 82366864
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
CID 162517103
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
bis(1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol);hydrochloride
CID 68818348
2-(1-methoxycyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 118042370
2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetaldehyde
CID 139595164
1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 79004884
1-[(2-amino-4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 141095478

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol (CID 57165649) is 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol is COc1ccc(C(N)CC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is YHBGMGJRLBSNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-18-13-7-5-12(6-8-13)14(16)11-15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3.
What are the key properties of 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol?
1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 57165649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).