N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine

C17H18BrClFN — CID 103048462

IUPACN-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C17H18BrClFN/c1-2-8-21-17(12-4-3-5-14(18)9-12)11-13-10-15(19)6-7-16(13)20/h3-7,9-10,17,21H,2,8,11H2,1H3
InChIKeyWBIOAJBKAZMOSZ-UHFFFAOYSA-N
MW370.69 g/mol
LogP5.53
Rot. Bonds6

About N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine

N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 103048462) has the molecular formula C17H18BrClFN and a molecular weight of 370.69 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
PubChem CID103048462
Molecular FormulaC17H18BrClFN
Molecular Weight370.69 g/mol
Exact Mass369.03
IUPAC NameN-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C17H18BrClFN/c1-2-8-21-17(12-4-3-5-14(18)9-12)11-13-10-15(19)6-7-16(13)20/h3-7,9-10,17,21H,2,8,11H2,1H3
InChIKeyWBIOAJBKAZMOSZ-UHFFFAOYSA-N
XLogP5.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]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-[2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 63418360
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[2-(4-chloro-2-fluorophenyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 114855297
N-[2-(5-chloro-2-fluorophenyl)-1-pyrimidin-5-ylethyl]propan-1-amine
CID 103053234
N-[2-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylethyl]propan-1-amine
CID 62601872
N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052766
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
N-[1-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105373665
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
CID 63412537
1-(4-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103053128
N-[2-(5-chloro-2-fluorophenyl)-1-(furan-2-yl)ethyl]propan-1-amine
CID 103048611
N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052896

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine (CID 103048462) is N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1F)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is WBIOAJBKAZMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClFN/c1-2-8-21-17(12-4-3-5-14(18)9-12)11-13-10-15(19)6-7-16(13)20/h3-7,9-10,17,21H,2,8,11H2,1H3.
What are the key properties of N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 370.69 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103048462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).