1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine

C17H19Br2N — CID 81473930

IUPAC1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Br)c(C)cc2Br)cc1C
InChIInChI=1S/C17H19Br2N/c1-10-4-5-13(6-11(10)2)8-17(20)14-9-15(18)12(3)7-16(14)19/h4-7,9,17H,8,20H2,1-3H3
InChIKeyFIXOZJPJJBOKQC-UHFFFAOYSA-N
MW397.15 g/mol
LogP5.38
Rot. Bonds3

About 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine

1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 81473930) has the molecular formula C17H19Br2N and a molecular weight of 397.15 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID81473930
Molecular FormulaC17H19Br2N
Molecular Weight397.15 g/mol
Exact Mass394.99
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Br)c(C)cc2Br)cc1C
InChIInChI=1S/C17H19Br2N/c1-10-4-5-13(6-11(10)2)8-17(20)14-9-15(18)12(3)7-16(14)19/h4-7,9,17H,8,20H2,1-3H3
InChIKeyFIXOZJPJJBOKQC-UHFFFAOYSA-N
XLogP5.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.15
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81473177
1-(2-bromo-4-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62539465
1-(2-bromo-5-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538802
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 106762466
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 115818512
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
2-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 55086765
2-(3,4-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63522355

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine (CID 81473930) is 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(CC(N)c2cc(Br)c(C)cc2Br)cc1C.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is FIXOZJPJJBOKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2N/c1-10-4-5-13(6-11(10)2)8-17(20)14-9-15(18)12(3)7-16(14)19/h4-7,9,17H,8,20H2,1-3H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine?
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 397.15 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 81473930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).