1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

C16H24FN — CID 63415562

IUPAC1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1cc(C)ccc1F)C1CCC(C)CC1
InChIInChI=1S/C16H24FN/c1-11-4-7-13(8-5-11)16(18-3)14-10-12(2)6-9-15(14)17/h6,9-11,13,16,18H,4-5,7-8H2,1-3H3
InChIKeyAUXWLKUKPJJUGZ-UHFFFAOYSA-N
MW249.37 g/mol
LogP4.22
Rot. Bonds3

About 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine

1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (PubChem CID 63415562) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
PubChem CID63415562
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
SMILESCNC(c1cc(C)ccc1F)C1CCC(C)CC1
InChIInChI=1S/C16H24FN/c1-11-4-7-13(8-5-11)16(18-3)14-10-12(2)6-9-15(14)17/h6,9-11,13,16,18H,4-5,7-8H2,1-3H3
InChIKeyAUXWLKUKPJJUGZ-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-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

1-cyclopropyl-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 62791210
[(2-fluoro-5-methylphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210507
1-(4,4-difluorocyclohexyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 105143269
1-(3-ethylcyclopentyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 65409640
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852814
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998167
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 62789509
N-[cyclopropyl-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 62791719
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
1-[(2-fluoro-5-methylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061551
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 107476202
1-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 105394836

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine (CID 63415562) is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is CNC(c1cc(C)ccc1F)C1CCC(C)CC1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
The InChIKey is AUXWLKUKPJJUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-11-4-7-13(8-5-11)16(18-3)14-10-12(2)6-9-15(14)17/h6,9-11,13,16,18H,4-5,7-8H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine?
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine has a molecular weight of 249.37 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-(2-fluoro-5-methylphenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 63415562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).