(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine

C15H22FNO — CID 81305445

IUPAC(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CCCC(C)C2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-10-4-3-5-11(8-10)15(17)13-7-6-12(18-2)9-14(13)16/h6-7,9-11,15H,3-5,8,17H2,1-2H3
InChIKeyAZQCFHJRPLGXDG-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.66
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine

(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine (PubChem CID 81305445) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
PubChem CID81305445
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CCCC(C)C2)c(F)c1
InChIInChI=1S/C15H22FNO/c1-10-4-3-5-11(8-10)15(17)13-7-6-12(18-2)9-14(13)16/h6-7,9-11,15H,3-5,8,17H2,1-2H3
InChIKeyAZQCFHJRPLGXDG-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine 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

(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 103397393
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171159980
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171159983
(1R,2S)-2-amino-1-cyclopropyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171161417
1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443330
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 104988937
1,4-diazabicyclo[2.2.2]octan-2-yl-(2-fluoro-4-methoxyphenyl)methanamine
CID 103395731
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989441

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine (CID 81305445) is (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine is COc1ccc(C(N)C2CCCC(C)C2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine?
The InChIKey is AZQCFHJRPLGXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-4-3-5-11(8-10)15(17)13-7-6-12(18-2)9-14(13)16/h6-7,9-11,15H,3-5,8,17H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine?
(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 81305445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).