N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine

C13H18ClFN2 — CID 65071350

IUPACN-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
SMILESCN1CCCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H18ClFN2/c1-17-7-2-3-11(6-8-17)16-13-5-4-10(15)9-12(13)14/h4-5,9,11,16H,2-3,6-8H2,1H3
InChIKeyFHOYWVKRHXCUBM-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.38
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine

N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine (PubChem CID 65071350) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
PubChem CID65071350
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC NameN-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
SMILESCN1CCCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H18ClFN2/c1-17-7-2-3-11(6-8-17)16-13-5-4-10(15)9-12(13)14/h4-5,9,11,16H,2-3,6-8H2,1H3
InChIKeyFHOYWVKRHXCUBM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-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-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074388
5-fluoro-2-[(1-methylazepan-4-yl)amino]benzonitrile
CID 82015465
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43714555
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888
N-(2-chloro-4-fluorophenyl)thian-4-amine
CID 43511380
N-(2-chloro-4-fluorophenyl)-4-propylcycloheptan-1-amine
CID 65086683
N-[2-chloro-4-[(1-methylazepan-4-yl)amino]phenyl]methanesulfonamide
CID 65070285
1-N-(2-chloro-4-fluorophenyl)cyclohexane-1,3-diamine
CID 79459216
N-(2-chloro-5-methylsulfonylphenyl)-1-methylazepan-4-amine
CID 65070213
2-[4-(2-chloro-4-fluoroanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43773958

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine (CID 65071350) is N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine is CN1CCCC(Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine?
The InChIKey is FHOYWVKRHXCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-17-7-2-3-11(6-8-17)16-13-5-4-10(15)9-12(13)14/h4-5,9,11,16H,2-3,6-8H2,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine?
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine has a molecular weight of 256.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine is sourced from PubChem (CID 65071350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).