2,6-dibromo-N-(4-propan-2-ylphenyl)aniline

C15H15Br2N — CID 121004901

IUPAC2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(Nc2c(Br)cccc2Br)cc1
InChIInChI=1S/C15H15Br2N/c1-10(2)11-6-8-12(9-7-11)18-15-13(16)4-3-5-14(15)17/h3-10,18H,1-2H3
InChIKeyBKMSFKBXVSPKGS-UHFFFAOYSA-N
MW369.10 g/mol
LogP6.08
Rot. Bonds3

About 2,6-dibromo-N-(4-propan-2-ylphenyl)aniline

2,6-dibromo-N-(4-propan-2-ylphenyl)aniline (PubChem CID 121004901) has the molecular formula C15H15Br2N and a molecular weight of 369.10 g/mol. Its IUPAC name is 2,6-dibromo-N-(4-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
PubChem CID121004901
Molecular FormulaC15H15Br2N
Molecular Weight369.10 g/mol
Exact Mass366.96
IUPAC Name2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccc(Nc2c(Br)cccc2Br)cc1
InChIInChI=1S/C15H15Br2N/c1-10(2)11-6-8-12(9-7-11)18-15-13(16)4-3-5-14(15)17/h3-10,18H,1-2H3
InChIKeyBKMSFKBXVSPKGS-UHFFFAOYSA-N
XLogP6.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.10
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
2,6-dibromo-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107597110
6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
CID 63962569
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
4-(4-propan-2-ylanilino)phenol
CID 21326552
2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 107597769
cumene;N-phenylaniline
CID 22645781
(4-propan-2-ylphenyl)hydrazine
CID 2733249
3-bromo-N-(4-propan-2-ylphenyl)pyridin-4-amine
CID 104777924
3-ethynyl-N-(4-propan-2-ylphenyl)aniline
CID 155290560
3-(4-propan-2-ylanilino)benzene-1,2-diol
CID 171920166
2-bromo-6-chloro-N-phenylaniline
CID 14369715

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(4-propan-2-ylphenyl)aniline?
The IUPAC name of 2,6-dibromo-N-(4-propan-2-ylphenyl)aniline (CID 121004901) is 2,6-dibromo-N-(4-propan-2-ylphenyl)aniline.
What is the SMILES notation for 2,6-dibromo-N-(4-propan-2-ylphenyl)aniline?
The canonical SMILES for 2,6-dibromo-N-(4-propan-2-ylphenyl)aniline is CC(C)c1ccc(Nc2c(Br)cccc2Br)cc1.
What is the InChIKey of 2,6-dibromo-N-(4-propan-2-ylphenyl)aniline?
The InChIKey is BKMSFKBXVSPKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N/c1-10(2)11-6-8-12(9-7-11)18-15-13(16)4-3-5-14(15)17/h3-10,18H,1-2H3.
What are the key properties of 2,6-dibromo-N-(4-propan-2-ylphenyl)aniline?
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline has a molecular weight of 369.10 g/mol, XLogP of 6.08, 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-(4-propan-2-ylphenyl)aniline is sourced from PubChem (CID 121004901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).