N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine

C16H24FN — CID 55187562

IUPACN-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1C)C1CCCCC1
InChIInChI=1S/C16H24FN/c1-3-18-16(13-7-5-4-6-8-13)15-10-9-14(17)11-12(15)2/h9-11,13,16,18H,3-8H2,1-2H3
InChIKeyCHDAKKGVYAQVSU-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.37
Rot. Bonds4

About N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine

N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 55187562) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID55187562
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1C)C1CCCCC1
InChIInChI=1S/C16H24FN/c1-3-18-16(13-7-5-4-6-8-13)15-10-9-14(17)11-12(15)2/h9-11,13,16,18H,3-8H2,1-2H3
InChIKeyCHDAKKGVYAQVSU-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine 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

N-[(4,4-dimethylcyclohexyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 65391437
N-[cyclopentyl-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 55187563
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
N-[cyclooctyl-(2,5-difluorophenyl)methyl]propan-1-amine
CID 65018553
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
N-[(4-fluoro-2-methylphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65415409
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine (CID 55187562) is N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1C)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is CHDAKKGVYAQVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-3-18-16(13-7-5-4-6-8-13)15-10-9-14(17)11-12(15)2/h9-11,13,16,18H,3-8H2,1-2H3.
What are the key properties of N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine?
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 249.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 55187562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).