N-(4-bromo-2-fluorophenyl)azepan-4-amine

C12H16BrFN2 — CID 103980423

IUPACN-(4-bromo-2-fluorophenyl)azepan-4-amine
SMILESFc1cc(Br)ccc1NC1CCCNCC1
InChIInChI=1S/C12H16BrFN2/c13-9-3-4-12(11(14)8-9)16-10-2-1-6-15-7-5-10/h3-4,8,10,15-16H,1-2,5-7H2
InChIKeyAKFXJTWCKWLIEL-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.14
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)azepan-4-amine

N-(4-bromo-2-fluorophenyl)azepan-4-amine (PubChem CID 103980423) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)azepan-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)azepan-4-amine
PubChem CID103980423
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC NameN-(4-bromo-2-fluorophenyl)azepan-4-amine
SMILESFc1cc(Br)ccc1NC1CCCNCC1
InChIInChI=1S/C12H16BrFN2/c13-9-3-4-12(11(14)8-9)16-10-2-1-6-15-7-5-10/h3-4,8,10,15-16H,1-2,5-7H2
InChIKeyAKFXJTWCKWLIEL-UHFFFAOYSA-N
XLogP3.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-fluorophenyl)azepan-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-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241
N-(2-bromo-4-methylphenyl)azepan-4-amine
CID 103980363
1-N-(4-bromo-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459495
4-bromo-2-fluoro-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419248
N-[5-bromo-2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 107286818
N-(2,4-dibromophenyl)pyrrolidin-3-amine
CID 79725192
N-(2,4-difluorophenyl)pyrrolidin-3-amine
CID 66545630
N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897853
N-(4-fluoro-2-nitrophenyl)azepan-4-amine
CID 103981106
N-(2,4,5-trifluorophenyl)piperidin-3-amine
CID 62814853
N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine
CID 65468689

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)azepan-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)azepan-4-amine (CID 103980423) is N-(4-bromo-2-fluorophenyl)azepan-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)azepan-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)azepan-4-amine is Fc1cc(Br)ccc1NC1CCCNCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)azepan-4-amine?
The InChIKey is AKFXJTWCKWLIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-9-3-4-12(11(14)8-9)16-10-2-1-6-15-7-5-10/h3-4,8,10,15-16H,1-2,5-7H2.
What are the key properties of N-(4-bromo-2-fluorophenyl)azepan-4-amine?
N-(4-bromo-2-fluorophenyl)azepan-4-amine has a molecular weight of 287.18 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)azepan-4-amine is sourced from PubChem (CID 103980423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).