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

C18H21BrClN — CID 115567846

IUPACN-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C18H21BrClN/c1-3-10-21-18(12-14-7-5-4-6-13(14)2)15-8-9-17(20)16(19)11-15/h4-9,11,18,21H,3,10,12H2,1-2H3
InChIKeyYHGXLMXJPHQUHL-UHFFFAOYSA-N
MW366.73 g/mol
LogP5.69
Rot. Bonds6

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

N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 115567846) has the molecular formula C18H21BrClN and a molecular weight of 366.73 g/mol. Its IUPAC name is N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID115567846
Molecular FormulaC18H21BrClN
Molecular Weight366.73 g/mol
Exact Mass365.05
IUPAC NameN-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C18H21BrClN/c1-3-10-21-18(12-14-7-5-4-6-13(14)2)15-8-9-17(20)16(19)11-15/h4-9,11,18,21H,3,10,12H2,1-2H3
InChIKeyYHGXLMXJPHQUHL-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.73
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-4-chlorophenyl)-2-(2-bromophenyl)ethyl]propan-1-amine
CID 115567839
N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 60819521
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
1-(3-bromo-4-chlorophenyl)-N-propylpentan-1-amine
CID 115567747
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263
N-[1-(3-bromo-4-chlorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 107989126
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
N-[1-(3-bromo-4-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841797
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 115567846) is N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1C)c1ccc(Cl)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is YHGXLMXJPHQUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrClN/c1-3-10-21-18(12-14-7-5-4-6-13(14)2)15-8-9-17(20)16(19)11-15/h4-9,11,18,21H,3,10,12H2,1-2H3.
What are the key properties of N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 366.73 g/mol, XLogP of 5.69, 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-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 115567846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).