2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine

C14H19ClFN — CID 114349118

IUPAC2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cc(F)ccc1CNC1CCCCC1Cl
InChIInChI=1S/C14H19ClFN/c1-10-8-12(16)7-6-11(10)9-17-14-5-3-2-4-13(14)15/h6-8,13-14,17H,2-5,9H2,1H3
InChIKeyUDVFWOFZEIKCKT-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.77
Rot. Bonds3

About 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine

2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 114349118) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID114349118
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cc(F)ccc1CNC1CCCCC1Cl
InChIInChI=1S/C14H19ClFN/c1-10-8-12(16)7-6-11(10)9-17-14-5-3-2-4-13(14)15/h6-8,13-14,17H,2-5,9H2,1H3
InChIKeyUDVFWOFZEIKCKT-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine 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-fluoro-2-methylphenyl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 62134250
[2-[(4-fluoro-2-methylphenyl)methylamino]cyclopentyl]methanol
CID 113243356
1-chloro-2-[(4-fluoro-2-methylphenyl)methyl]cycloheptane
CID 114348646
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637410
2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65026126
2-tert-butyl-N-[(2,4-difluorophenyl)methyl]cyclohexan-1-amine
CID 43433182
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
N-[(4-fluoro-2-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 62125242
1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 62136121
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
CID 86790304

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine (CID 114349118) is 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine is Cc1cc(F)ccc1CNC1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is UDVFWOFZEIKCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10-8-12(16)7-6-11(10)9-17-14-5-3-2-4-13(14)15/h6-8,13-14,17H,2-5,9H2,1H3.
What are the key properties of 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine?
2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 255.76 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114349118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).