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

C17H19BrClN — CID 107988840

IUPAC1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccc(Cl)cc1Br
InChIInChI=1S/C17H19BrClN/c1-3-20-17(10-13-7-5-4-6-12(13)2)15-9-8-14(19)11-16(15)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyKLDFOQDGUZELDL-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.30
Rot. Bonds5

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

1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine (PubChem CID 107988840) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
PubChem CID107988840
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1ccc(Cl)cc1Br
InChIInChI=1S/C17H19BrClN/c1-3-20-17(10-13-7-5-4-6-12(13)2)15-9-8-14(19)11-16(15)18/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyKLDFOQDGUZELDL-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

2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 115787466
1-(5-bromo-2-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63526896
1-(2-bromo-4-chlorophenyl)-N-ethylpropan-1-amine
CID 107991741
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107992590
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 43489975
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
N-ethyl-1-(2-fluoro-5-methylphenyl)-2-(2-methylphenyl)ethanamine
CID 63416854
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
1-(2-bromo-4-fluorophenyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309221
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091614

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine (CID 107988840) is 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
The InChIKey is KLDFOQDGUZELDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-3-20-17(10-13-7-5-4-6-12(13)2)15-9-8-14(19)11-16(15)18/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine?
1-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-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-(2-bromo-4-chlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 107988840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).