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

C17H18Br2ClN — CID 115567839

IUPACN-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H18Br2ClN/c1-2-9-21-17(11-12-5-3-4-6-14(12)18)13-7-8-16(20)15(19)10-13/h3-8,10,17,21H,2,9,11H2,1H3
InChIKeyFIXJYTOKHPWLPV-UHFFFAOYSA-N
MW431.60 g/mol
LogP6.15
Rot. Bonds6

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

N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine (PubChem CID 115567839) has the molecular formula C17H18Br2ClN and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
PubChem CID115567839
Molecular FormulaC17H18Br2ClN
Molecular Weight431.60 g/mol
Exact Mass428.95
IUPAC NameN-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Br)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C17H18Br2ClN/c1-2-9-21-17(11-12-5-3-4-6-14(12)18)13-7-8-16(20)15(19)10-13/h3-8,10,17,21H,2,9,11H2,1H3
InChIKeyFIXJYTOKHPWLPV-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.60
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 115567846
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
N-[2-(2-bromophenyl)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 60819665
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
N-[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]propan-1-amine
CID 107504146
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126
1-(3-bromo-4-chlorophenyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115567661
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715
N-[1-(3-bromo-4-chlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115567852
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
1-(3-bromo-4-chlorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115567795

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine (CID 115567839) is N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Br)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine?
The InChIKey is FIXJYTOKHPWLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2ClN/c1-2-9-21-17(11-12-5-3-4-6-14(12)18)13-7-8-16(20)15(19)10-13/h3-8,10,17,21H,2,9,11H2,1H3.
What are the key properties of N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine?
N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine has a molecular weight of 431.60 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115567839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).