4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine

C13H15ClFN — CID 102864229

IUPAC4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine
SMILESNC1CCC(=Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C13H15ClFN/c14-12-3-1-2-10(13(12)15)8-9-4-6-11(16)7-5-9/h1-3,8,11H,4-7,16H2/b9-8-
InChIKeyQHPVRVZFOZOJHB-HJWRWDBZSA-N
MW239.72 g/mol
LogP3.76
Rot. Bonds1

About 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine

4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine (PubChem CID 102864229) has the molecular formula C13H15ClFN and a molecular weight of 239.72 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine
PubChem CID102864229
Molecular FormulaC13H15ClFN
Molecular Weight239.72 g/mol
Exact Mass239.09
IUPAC Name4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine
SMILESNC1CCC(=Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C13H15ClFN/c14-12-3-1-2-10(13(12)15)8-9-4-6-11(16)7-5-9/h1-3,8,11H,4-7,16H2/b9-8-
InChIKeyQHPVRVZFOZOJHB-HJWRWDBZSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[(3-chloro-2-fluorophenyl)methylidene]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

4-[(2,3-difluorophenyl)methylidene]cyclohexan-1-amine
CID 79879887
4-[(3-chloro-2-fluorophenyl)methylidene]piperidine
CID 102864225
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183
4-[(3-chloro-2-fluorophenyl)methyl]-4-fluorocyclohexan-1-amine
CID 102864805
(E)-3-(3-chloro-2-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 114489355
4-(3-chloro-2-fluorophenyl)but-3-enenitrile
CID 170799235
1-fluoro-2-[(4-fluorocyclohexylidene)methyl]benzene
CID 121281352
1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 163483259
4-[(2,3-dichlorophenyl)methylidene]piperidine
CID 107310997
(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 114489016
4-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 71165661
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169469103

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine?
The IUPAC name of 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine (CID 102864229) is 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine?
The canonical SMILES for 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine is NC1CCC(=Cc2cccc(Cl)c2F)CC1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine?
The InChIKey is QHPVRVZFOZOJHB-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H15ClFN/c14-12-3-1-2-10(13(12)15)8-9-4-6-11(16)7-5-9/h1-3,8,11H,4-7,16H2/b9-8-.
What are the key properties of 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine?
4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine has a molecular weight of 239.72 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenyl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 102864229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).