2,6-dibromo-N-(2-methylcyclohexyl)aniline

C13H17Br2N — CID 107597104

IUPAC2,6-dibromo-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1c(Br)cccc1Br
InChIInChI=1S/C13H17Br2N/c1-9-5-2-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h4,6-7,9,12,16H,2-3,5,8H2,1H3
InChIKeyTUBJUHHPNXCZFD-UHFFFAOYSA-N
MW347.09 g/mol
LogP5.20
Rot. Bonds2

About 2,6-dibromo-N-(2-methylcyclohexyl)aniline

2,6-dibromo-N-(2-methylcyclohexyl)aniline (PubChem CID 107597104) has the molecular formula C13H17Br2N and a molecular weight of 347.09 g/mol. Its IUPAC name is 2,6-dibromo-N-(2-methylcyclohexyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2-methylcyclohexyl)aniline
PubChem CID107597104
Molecular FormulaC13H17Br2N
Molecular Weight347.09 g/mol
Exact Mass344.97
IUPAC Name2,6-dibromo-N-(2-methylcyclohexyl)aniline
SMILESCC1CCCCC1Nc1c(Br)cccc1Br
InChIInChI=1S/C13H17Br2N/c1-9-5-2-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h4,6-7,9,12,16H,2-3,5,8H2,1H3
InChIKeyTUBJUHHPNXCZFD-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.09
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline
CID 107596947
2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline
CID 107597928
[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol
CID 115885001
3-methyl-2-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 115550519
2,6-dibromo-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 107597064
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
2-(2,6-dibromoanilino)cyclobutane-1-carboxylic acid
CID 107601036
6-methyl-N-(2-methylcyclohexyl)pyridin-2-amine
CID 60876622
2,6-difluoro-3-methyl-N-(2-methylcyclohexyl)aniline
CID 82815625
2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline
CID 107597952
3-methyl-2-[(2-methylcyclopentyl)amino]benzonitrile
CID 107106887
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2-methylcyclohexyl)aniline?
The IUPAC name of 2,6-dibromo-N-(2-methylcyclohexyl)aniline (CID 107597104) is 2,6-dibromo-N-(2-methylcyclohexyl)aniline.
What is the SMILES notation for 2,6-dibromo-N-(2-methylcyclohexyl)aniline?
The canonical SMILES for 2,6-dibromo-N-(2-methylcyclohexyl)aniline is CC1CCCCC1Nc1c(Br)cccc1Br.
What is the InChIKey of 2,6-dibromo-N-(2-methylcyclohexyl)aniline?
The InChIKey is TUBJUHHPNXCZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N/c1-9-5-2-3-8-12(9)16-13-10(14)6-4-7-11(13)15/h4,6-7,9,12,16H,2-3,5,8H2,1H3.
What are the key properties of 2,6-dibromo-N-(2-methylcyclohexyl)aniline?
2,6-dibromo-N-(2-methylcyclohexyl)aniline has a molecular weight of 347.09 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(2-methylcyclohexyl)aniline is sourced from PubChem (CID 107597104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).