N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine

C14H20BrClN2 — CID 107619168

IUPACN-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C14H20BrClN2/c1-2-18-8-3-4-11(7-9-18)17-12-5-6-13(15)14(16)10-12/h5-6,10-11,17H,2-4,7-9H2,1H3
InChIKeyOLMHNMMAQAJXKO-UHFFFAOYSA-N
MW331.69 g/mol
LogP4.39
Rot. Bonds3

About N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine

N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine (PubChem CID 107619168) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
PubChem CID107619168
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(Nc2ccc(Br)c(Cl)c2)CC1
InChIInChI=1S/C14H20BrClN2/c1-2-18-8-3-4-11(7-9-18)17-12-5-6-13(15)14(16)10-12/h5-6,10-11,17H,2-4,7-9H2,1H3
InChIKeyOLMHNMMAQAJXKO-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-3-chlorophenyl)-1-ethylazepan-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-(3-bromophenyl)-1-ethylazepan-4-amine
CID 65072536
N-(3-bromo-4-nitrophenyl)-1-ethylazepan-4-amine
CID 82864140
1-ethyl-N-(4-iodophenyl)azepan-4-amine
CID 65073993
1-ethyl-N-(2,4,6-trichlorophenyl)azepan-4-amine
CID 65074238
N-(1,3-benzodioxol-5-yl)-1-ethylazepan-4-amine
CID 65072696
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(4-bromo-2,6-dichlorophenyl)-1-ethylpiperidin-4-amine
CID 28993181
5-[(1-ethylazepan-4-yl)amino]-2-fluorobenzoic acid
CID 65074426
N-(1-ethylazepan-4-yl)-1H-indazol-6-amine
CID 65073550
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
CID 65074592

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine (CID 107619168) is N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine is CCN1CCCC(Nc2ccc(Br)c(Cl)c2)CC1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine?
The InChIKey is OLMHNMMAQAJXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-2-18-8-3-4-11(7-9-18)17-12-5-6-13(15)14(16)10-12/h5-6,10-11,17H,2-4,7-9H2,1H3.
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine?
N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine has a molecular weight of 331.69 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 107619168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).