2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine

C19H24BrN — CID 79433065

IUPAC2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(C)ccc1C)c1ccc(Br)cc1
InChIInChI=1S/C19H24BrN/c1-4-21-13-18(16-7-9-19(20)10-8-16)12-17-11-14(2)5-6-15(17)3/h5-11,18,21H,4,12-13H2,1-3H3
InChIKeyWSGLDNROZAIBNJ-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.00
Rot. Bonds6

About 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine

2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine (PubChem CID 79433065) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
PubChem CID79433065
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC Name2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(C)ccc1C)c1ccc(Br)cc1
InChIInChI=1S/C19H24BrN/c1-4-21-13-18(16-7-9-19(20)10-8-16)12-17-11-14(2)5-6-15(17)3/h5-11,18,21H,4,12-13H2,1-3H3
InChIKeyWSGLDNROZAIBNJ-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-bromophenyl)-3-chloropropyl]-1,4-dimethylbenzene
CID 79434130
2-[(4-bromophenyl)methyl]-3-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 63523328
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430391
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79435732
2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 62537525
(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 78921805
1-(4-bromo-2-methylphenyl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63527968
3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79436831
2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79442011
3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 81027985

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine (CID 79433065) is 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine is CCNCC(Cc1cc(C)ccc1C)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine?
The InChIKey is WSGLDNROZAIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-21-13-18(16-7-9-19(20)10-8-16)12-17-11-14(2)5-6-15(17)3/h5-11,18,21H,4,12-13H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine?
2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79433065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).