2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline

C16H23Br2N — CID 63425329

IUPAC2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCc1cc(Br)c(NC2CC(C)CC(C)(C)C2)c(Br)c1
InChIInChI=1S/C16H23Br2N/c1-10-6-13(17)15(14(18)7-10)19-12-5-11(2)8-16(3,4)9-12/h6-7,11-12,19H,5,8-9H2,1-4H3
InChIKeyAPRUAPJHALOJLA-UHFFFAOYSA-N
MW389.18 g/mol
LogP6.15
Rot. Bonds2

About 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline

2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline (PubChem CID 63425329) has the molecular formula C16H23Br2N and a molecular weight of 389.18 g/mol. Its IUPAC name is 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
PubChem CID63425329
Molecular FormulaC16H23Br2N
Molecular Weight389.18 g/mol
Exact Mass387.02
IUPAC Name2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
SMILESCc1cc(Br)c(NC2CC(C)CC(C)(C)C2)c(Br)c1
InChIInChI=1S/C16H23Br2N/c1-10-6-13(17)15(14(18)7-10)19-12-5-11(2)8-16(3,4)9-12/h6-7,11-12,19H,5,8-9H2,1-4H3
InChIKeyAPRUAPJHALOJLA-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.18
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 107598169
2,6-dichloro-4-fluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 83077049
2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43123923
4-bromo-2-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
CID 130201997
3-bromo-4-[(3,3,5-trimethylcyclohexyl)amino]benzonitrile
CID 43722809
N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine
CID 63623093
4-methyl-3-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63456101
N-(2,6-dibromo-4-methylphenyl)thian-4-amine
CID 43511376
2,6-dibromo-N-[3-(4-bromophenyl)cyclobutyl]-4-methylaniline
CID 63425282
2,6-dibromo-4-methyl-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 63425239
2-ethoxy-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63453509
2,3,5-trifluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63478916

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline?
The IUPAC name of 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline (CID 63425329) is 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline.
What is the SMILES notation for 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline?
The canonical SMILES for 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline is Cc1cc(Br)c(NC2CC(C)CC(C)(C)C2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline?
The InChIKey is APRUAPJHALOJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Br2N/c1-10-6-13(17)15(14(18)7-10)19-12-5-11(2)8-16(3,4)9-12/h6-7,11-12,19H,5,8-9H2,1-4H3.
What are the key properties of 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline?
2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline has a molecular weight of 389.18 g/mol, XLogP of 6.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methyl-N-(3,3,5-trimethylcyclohexyl)aniline is sourced from PubChem (CID 63425329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).