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

C16H17Br2N — CID 81473177

IUPAC1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Br)c(C)cc2Br)cc1
InChIInChI=1S/C16H17Br2N/c1-10-3-5-12(6-4-10)8-16(19)13-9-14(17)11(2)7-15(13)18/h3-7,9,16H,8,19H2,1-2H3
InChIKeyJFOWUQVOOILFBN-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.07
Rot. Bonds3

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

1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine (PubChem CID 81473177) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
PubChem CID81473177
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
SMILESCc1ccc(CC(N)c2cc(Br)c(C)cc2Br)cc1
InChIInChI=1S/C16H17Br2N/c1-10-3-5-12(6-4-10)8-16(19)13-9-14(17)11(2)7-15(13)18/h3-7,9,16H,8,19H2,1-2H3
InChIKeyJFOWUQVOOILFBN-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dibromo-4-methylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 81473930
2-(3-bromo-4-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 115818512
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
2-(3-bromo-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54971855
1,4-dibromo-2-[1-chloro-2-(4-fluorophenyl)ethyl]-5-methylbenzene
CID 81472720
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 104657305
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
CID 115864016

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine (CID 81473177) is 1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine is Cc1ccc(CC(N)c2cc(Br)c(C)cc2Br)cc1.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine?
The InChIKey is JFOWUQVOOILFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-10-3-5-12(6-4-10)8-16(19)13-9-14(17)11(2)7-15(13)18/h3-7,9,16H,8,19H2,1-2H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine?
1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine has a molecular weight of 383.13 g/mol, XLogP of 5.07, 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-(4-methylphenyl)ethanamine is sourced from PubChem (CID 81473177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).