2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline

C16H17Br2N — CID 107597666

IUPAC2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(Br)cccc2Br)c(C)c1
InChIInChI=1S/C16H17Br2N/c1-10-7-8-13(11(2)9-10)12(3)19-16-14(17)5-4-6-15(16)18/h4-9,12,19H,1-3H3
InChIKeyTWKKJTUKXWNVII-UHFFFAOYSA-N
MW383.13 g/mol
LogP6.00
Rot. Bonds3

About 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline

2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline (PubChem CID 107597666) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
PubChem CID107597666
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(Br)cccc2Br)c(C)c1
InChIInChI=1S/C16H17Br2N/c1-10-7-8-13(11(2)9-10)12(3)19-16-14(17)5-4-6-15(16)18/h4-9,12,19H,1-3H3
InChIKeyTWKKJTUKXWNVII-UHFFFAOYSA-N
XLogP6.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline 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

2,4,6-tribromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 63425514
2-[1-(2-bromo-6-fluoroanilino)ethyl]-5-methylphenol
CID 107598521
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
2-bromo-3-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 103477851
2-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597669
N-[1-(2,4-dibromophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449322
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
N-[3-[1-(2,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193742
N-[1-(2,4-dimethylphenyl)ethyl]-2-ethylaniline
CID 43096079
2-(4-bromophenyl)-N-[1-(2,4-dimethylphenyl)ethyl]propan-2-amine
CID 43740817

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The IUPAC name of 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline (CID 107597666) is 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline is Cc1ccc(C(C)Nc2c(Br)cccc2Br)c(C)c1.
What is the InChIKey of 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
The InChIKey is TWKKJTUKXWNVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-10-7-8-13(11(2)9-10)12(3)19-16-14(17)5-4-6-15(16)18/h4-9,12,19H,1-3H3.
What are the key properties of 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline?
2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline has a molecular weight of 383.13 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline is sourced from PubChem (CID 107597666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).