N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine

C17H19BrClN — CID 60819176

IUPACN-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19BrClN/c1-2-10-20-17(14-4-3-5-16(19)12-14)11-13-6-8-15(18)9-7-13/h3-9,12,17,20H,2,10-11H2,1H3
InChIKeySUMCMLGLLISKOO-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.39
Rot. Bonds6

About N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine

N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine (PubChem CID 60819176) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
PubChem CID60819176
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H19BrClN/c1-2-10-20-17(14-4-3-5-16(19)12-14)11-13-6-8-15(18)9-7-13/h3-9,12,17,20H,2,10-11H2,1H3
InChIKeySUMCMLGLLISKOO-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chloro-3-fluorophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 107884482
N-[1-(3-bromophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 60818147
N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
CID 43695932
N-[1-(4-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 103039790
N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 60819521
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103048462
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
4-bromo-N-[1-(3-chlorophenyl)propyl]aniline
CID 43101702
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine (CID 60819176) is N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is SUMCMLGLLISKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-2-10-20-17(14-4-3-5-16(19)12-14)11-13-6-8-15(18)9-7-13/h3-9,12,17,20H,2,10-11H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine?
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine has a molecular weight of 352.70 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60819176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).