N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine

C17H18Br2ClN — CID 63528081

IUPACN-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H18Br2ClN/c1-2-9-21-17(10-12-3-5-13(18)6-4-12)15-11-14(19)7-8-16(15)20/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeySKWOPPMPJKJUEQ-UHFFFAOYSA-N
MW431.60 g/mol
LogP6.15
Rot. Bonds6

About N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine

N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine (PubChem CID 63528081) has the molecular formula C17H18Br2ClN and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
PubChem CID63528081
Molecular FormulaC17H18Br2ClN
Molecular Weight431.60 g/mol
Exact Mass428.95
IUPAC NameN-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C17H18Br2ClN/c1-2-9-21-17(10-12-3-5-13(18)6-4-12)15-11-14(19)7-8-16(15)20/h3-8,11,17,21H,2,9-10H2,1H3
InChIKeySKWOPPMPJKJUEQ-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-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 63528786
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
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
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
N-[2-(4-bromophenyl)-1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43496902
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 65306974
N-[1-(2,5-dichlorophenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62791433
N-[1-(4-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 103039790

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine (CID 63528081) is N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine?
The InChIKey is SKWOPPMPJKJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2ClN/c1-2-9-21-17(10-12-3-5-13(18)6-4-12)15-11-14(19)7-8-16(15)20/h3-8,11,17,21H,2,9-10H2,1H3.
What are the key properties of N-[1-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine?
N-[1-(5-bromo-2-chlorophenyl)-2-(4-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-(5-bromo-2-chlorophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63528081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).