N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine

C17H18BrClFN — CID 82964592

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
SMILESCCC(NC(C)c1cc(Br)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C17H18BrClFN/c1-3-17(12-5-4-6-14(19)9-12)21-11(2)15-10-13(18)7-8-16(15)20/h4-11,17,21H,3H2,1-2H3
InChIKeyWBZFTDILZUZBNS-UHFFFAOYSA-N
MW370.69 g/mol
LogP6.04
Rot. Bonds5

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine

N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine (PubChem CID 82964592) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
PubChem CID82964592
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
SMILESCCC(NC(C)c1cc(Br)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C17H18BrClFN/c1-3-17(12-5-4-6-14(19)9-12)21-11(2)15-10-13(18)7-8-16(15)20/h4-11,17,21H,3H2,1-2H3
InChIKeyWBZFTDILZUZBNS-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-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

N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 81383700
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 82964918
1-(3-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 43674019
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82964670
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292
(1S)-N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82964513
1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82964641
N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
CID 43695932

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine (CID 82964592) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine is CCC(NC(C)c1cc(Br)ccc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine?
The InChIKey is WBZFTDILZUZBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-3-17(12-5-4-6-14(19)9-12)21-11(2)15-10-13(18)7-8-16(15)20/h4-11,17,21H,3H2,1-2H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine has a molecular weight of 370.69 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 82964592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).