N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine

C15H21ClFN — CID 114842332

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C15H21ClFN/c1-11-2-4-12(5-3-11)9-18-10-13-8-14(16)6-7-15(13)17/h6-8,11-12,18H,2-5,9-10H2,1H3
InChIKeyPJPRYAWXEIIDFM-UHFFFAOYSA-N
MW269.79 g/mol
LogP4.39
Rot. Bonds4

About N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine

N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine (PubChem CID 114842332) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
PubChem CID114842332
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCC1CCC(CNCc2cc(Cl)ccc2F)CC1
InChIInChI=1S/C15H21ClFN/c1-11-2-4-12(5-3-11)9-18-10-13-8-14(16)6-7-15(13)17/h6-8,11-12,18H,2-5,9-10H2,1H3
InChIKeyPJPRYAWXEIIDFM-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(5-chloro-2-fluorophenyl)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

N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
CID 114146496
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 115761800
1-(4-methylcyclohexyl)-N-[(2,3,5,6-tetrafluorophenyl)methyl]methanamine
CID 142228898
2,6-difluoro-4-[[(4-methylcyclohexyl)methylamino]methyl]phenol
CID 79831125
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64748066
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
CID 25163929
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 81436280
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
N-[(4-chloro-3-fluorophenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411830
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine (CID 114842332) is N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine is CC1CCC(CNCc2cc(Cl)ccc2F)CC1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
The InChIKey is PJPRYAWXEIIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-11-2-4-12(5-3-11)9-18-10-13-8-14(16)6-7-15(13)17/h6-8,11-12,18H,2-5,9-10H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine?
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine has a molecular weight of 269.79 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 114842332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).