2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline

C14H19Br2N — CID 107596947

IUPAC2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline
SMILESCC1CCCC(Nc2c(Br)cccc2Br)C1C
InChIInChI=1S/C14H19Br2N/c1-9-5-3-8-13(10(9)2)17-14-11(15)6-4-7-12(14)16/h4,6-7,9-10,13,17H,3,5,8H2,1-2H3
InChIKeyVMJSSAOKIMHLBP-UHFFFAOYSA-N
MW361.12 g/mol
LogP5.45
Rot. Bonds2

About 2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline

2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline (PubChem CID 107596947) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is 2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline
PubChem CID107596947
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC Name2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline
SMILESCC1CCCC(Nc2c(Br)cccc2Br)C1C
InChIInChI=1S/C14H19Br2N/c1-9-5-3-8-13(10(9)2)17-14-11(15)6-4-7-12(14)16/h4,6-7,9-10,13,17H,3,5,8H2,1-2H3
InChIKeyVMJSSAOKIMHLBP-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.12
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dibromo-N-(2-methylcyclohexyl)aniline
CID 107597104
2-bromo-6-fluoro-N-(2-methylcyclopentyl)aniline
CID 107597928
1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine
CID 54902981
2-bromo-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928444
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81383170
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219
6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
CID 81260243
2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline
CID 107597952
3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine
CID 106875451
3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
CID 64774574
4-bromo-2-chloro-N-(2,3-dimethylcyclohexyl)aniline
CID 64761795
3-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
CID 93177276

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline?
The IUPAC name of 2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline (CID 107596947) is 2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline.
What is the SMILES notation for 2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline?
The canonical SMILES for 2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline is CC1CCCC(Nc2c(Br)cccc2Br)C1C.
What is the InChIKey of 2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline?
The InChIKey is VMJSSAOKIMHLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-9-5-3-8-13(10(9)2)17-14-11(15)6-4-7-12(14)16/h4,6-7,9-10,13,17H,3,5,8H2,1-2H3.
What are the key properties of 2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline?
2,6-dibromo-N-(2,3-dimethylcyclohexyl)aniline has a molecular weight of 361.12 g/mol, XLogP of 5.45, 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-(2,3-dimethylcyclohexyl)aniline is sourced from PubChem (CID 107596947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).