N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine

C16H24BrClN2 — CID 104722837

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCc1cc(Br)c(NC2CCCN(C(C)C)CC2)cc1Cl
InChIInChI=1S/C16H24BrClN2/c1-11(2)20-7-4-5-13(6-8-20)19-16-10-15(18)12(3)9-14(16)17/h9-11,13,19H,4-8H2,1-3H3
InChIKeyGZZUTQOCNVPNBY-UHFFFAOYSA-N
MW359.74 g/mol
LogP5.09
Rot. Bonds3

About N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine

N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine (PubChem CID 104722837) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
PubChem CID104722837
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
SMILESCc1cc(Br)c(NC2CCCN(C(C)C)CC2)cc1Cl
InChIInChI=1S/C16H24BrClN2/c1-11(2)20-7-4-5-13(6-8-20)19-16-10-15(18)12(3)9-14(16)17/h9-11,13,19H,4-8H2,1-3H3
InChIKeyGZZUTQOCNVPNBY-UHFFFAOYSA-N
XLogP5.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.74
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-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-chlorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074191
N-(5-chloro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073026
N-(2,5-dichloro-4-methylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 104726429
N-(3-bromo-5-chloro-2-methoxyphenyl)-1-propan-2-ylazepan-4-amine
CID 65074357
N-(2-bromo-5-chloro-4-methylphenyl)oxepan-4-amine
CID 113445409
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074388
N-(4-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65072744
N-(5-fluoro-2-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65073150
N-(2-bromo-5-chloro-4-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 104722912
N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine
CID 114258870
2,5-dichloro-N-cyclopentyl-4-methylaniline
CID 104726288
4-bromo-2-[(1-propan-2-ylazepan-4-yl)amino]benzonitrile
CID 107797519

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine (CID 104722837) is N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine is Cc1cc(Br)c(NC2CCCN(C(C)C)CC2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine?
The InChIKey is GZZUTQOCNVPNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-11(2)20-7-4-5-13(6-8-20)19-16-10-15(18)12(3)9-14(16)17/h9-11,13,19H,4-8H2,1-3H3.
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine?
N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine has a molecular weight of 359.74 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 104722837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).