1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine

C19H24BrN — CID 115800248

IUPAC1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)c1ccc(C)c(Br)c1
InChIInChI=1S/C19H24BrN/c1-5-21-19(17-7-6-15(4)18(20)12-17)11-16-9-13(2)8-14(3)10-16/h6-10,12,19,21H,5,11H2,1-4H3
InChIKeyJYMMBVGQLHLJBW-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.27
Rot. Bonds5

About 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine

1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine (PubChem CID 115800248) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
PubChem CID115800248
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)c1ccc(C)c(Br)c1
InChIInChI=1S/C19H24BrN/c1-5-21-19(17-7-6-15(4)18(20)12-17)11-16-9-13(2)8-14(3)10-16/h6-10,12,19,21H,5,11H2,1-4H3
InChIKeyJYMMBVGQLHLJBW-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803182
1-(3-bromo-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 81459580
1-(4-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412567
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031551
1-(3,4-dimethylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 63416604
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105015730
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756
2-(3-bromophenyl)-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 60819247

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine (CID 115800248) is 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine is CCNC(Cc1cc(C)cc(C)c1)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine?
The InChIKey is JYMMBVGQLHLJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-5-21-19(17-7-6-15(4)18(20)12-17)11-16-9-13(2)8-14(3)10-16/h6-10,12,19,21H,5,11H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine?
1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(3,5-dimethylphenyl)-N-ethylethanamine is sourced from PubChem (CID 115800248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).