N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine

C17H18Br2ClN — CID 107944998

IUPACN-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C17H18Br2ClN/c1-2-9-21-17(10-12-3-6-14(20)7-4-12)15-8-5-13(18)11-16(15)19/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeyAZERHVGISVCUJM-UHFFFAOYSA-N
MW431.60 g/mol
LogP6.15
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine

N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine (PubChem CID 107944998) has the molecular formula C17H18Br2ClN and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
PubChem CID107944998
Molecular FormulaC17H18Br2ClN
Molecular Weight431.60 g/mol
Exact Mass428.95
IUPAC NameN-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1ccc(Br)cc1Br
InChIInChI=1S/C17H18Br2ClN/c1-2-9-21-17(10-12-3-6-14(20)7-4-12)15-8-5-13(18)11-16(15)19/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeyAZERHVGISVCUJM-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-(2,4-dibromophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107946176
N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63528081
N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 63528786
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63526553
1-(2,4-dibromophenyl)-3-methyl-N-propylbutan-1-amine
CID 107944978
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
2-(3-chlorophenyl)-1-(2,4-dibromophenyl)-N-ethylethanamine
CID 107945002
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
N-[1-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine (CID 107944998) is N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
The InChIKey is AZERHVGISVCUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2ClN/c1-2-9-21-17(10-12-3-6-14(20)7-4-12)15-8-5-13(18)11-16(15)19/h3-8,11,17,21H,2,9-10H2,1H3.
What are the key properties of N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine?
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)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-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107944998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).