1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine

C17H19BrClN — CID 63527590

IUPAC1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H19BrClN/c1-3-20-17(10-13-6-4-12(2)5-7-13)15-9-8-14(18)11-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyWZWBYUGHMPENEX-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.30
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine

1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine (PubChem CID 63527590) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
PubChem CID63527590
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(C)cc1)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H19BrClN/c1-3-20-17(10-13-6-4-12(2)5-7-13)15-9-8-14(18)11-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyWZWBYUGHMPENEX-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63528287
1-(4-bromo-2-chlorophenyl)-N-ethylpropan-1-amine
CID 114979228
1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106858425
1-(4-bromo-2-chlorophenyl)-N-ethylbutan-1-amine
CID 114981819
N-[1-(4-bromo-2-chlorophenyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 63528786
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
1-(5-bromo-2-methylphenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 65306974
2-(4-bromophenyl)-N-ethyl-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106792439
1-(4-bromo-2-methylphenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867000
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63526553
1-(4-bromo-2-methylphenyl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 63527393

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine (CID 63527590) is 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine is CCNC(Cc1ccc(C)cc1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
The InChIKey is WZWBYUGHMPENEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-20-17(10-13-6-4-12(2)5-7-13)15-9-8-14(18)11-16(15)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine has a molecular weight of 352.70 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 63527590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).