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

C14H18Cl2FN — CID 114146496

IUPAC1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
SMILESFc1cc(Cl)ccc1CNCC1CCC(Cl)CC1
InChIInChI=1S/C14H18Cl2FN/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(16)7-14(11)17/h3,6-7,10,12,18H,1-2,4-5,8-9H2
InChIKeyOZSKYVVDHIAULX-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.37
Rot. Bonds4

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

1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine (PubChem CID 114146496) has the molecular formula C14H18Cl2FN and a molecular weight of 290.21 g/mol. Its IUPAC name is 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
PubChem CID114146496
Molecular FormulaC14H18Cl2FN
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine
SMILESFc1cc(Cl)ccc1CNCC1CCC(Cl)CC1
InChIInChI=1S/C14H18Cl2FN/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(16)7-14(11)17/h3,6-7,10,12,18H,1-2,4-5,8-9H2
InChIKeyOZSKYVVDHIAULX-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 ≤ 500290.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]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

4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 114842672
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
4-[[(2,4,5-trifluorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106467902
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
4-[(cyclopropylmethylamino)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77026658
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine (CID 114146496) is 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine is Fc1cc(Cl)ccc1CNCC1CCC(Cl)CC1.
What is the InChIKey of 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine?
The InChIKey is OZSKYVVDHIAULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FN/c15-12-4-1-10(2-5-12)8-18-9-11-3-6-13(16)7-14(11)17/h3,6-7,10,12,18H,1-2,4-5,8-9H2.
What are the key properties of 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine?
1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine has a molecular weight of 290.21 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 1-(4-chlorocyclohexyl)-N-[(4-chloro-2-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 114146496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).