[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

C17H26FN — CID 114349742

IUPAC[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCc1cc(F)ccc1CC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C17H26FN/c1-13-10-15(18)5-4-14(13)11-17(12-19)8-6-16(2,3)7-9-17/h4-5,10H,6-9,11-12,19H2,1-3H3
InChIKeyIOQPUSNXZPOLJG-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.22
Rot. Bonds3

About [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine

[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (PubChem CID 114349742) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
PubChem CID114349742
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC Name[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCc1cc(F)ccc1CC1(CN)CCC(C)(C)CC1
InChIInChI=1S/C17H26FN/c1-13-10-15(18)5-4-14(13)11-17(12-19)8-6-16(2,3)7-9-17/h4-5,10H,6-9,11-12,19H2,1-3H3
InChIKeyIOQPUSNXZPOLJG-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine (CID 114349742) is [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine is Cc1cc(F)ccc1CC1(CN)CCC(C)(C)CC1.
What is the InChIKey of [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is IOQPUSNXZPOLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-13-10-15(18)5-4-14(13)11-17(12-19)8-6-16(2,3)7-9-17/h4-5,10H,6-9,11-12,19H2,1-3H3.
What are the key properties of [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine?
[1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 263.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-2-methylphenyl)methyl]-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 114349742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).