2-bromo-N-(3,4-dimethylcyclohexyl)aniline

C14H20BrN — CID 64731596

IUPAC2-bromo-N-(3,4-dimethylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccccc2Br)CC1C
InChIInChI=1S/C14H20BrN/c1-10-7-8-12(9-11(10)2)16-14-6-4-3-5-13(14)15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyFAKVZJILXYOILR-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.69
Rot. Bonds2

About 2-bromo-N-(3,4-dimethylcyclohexyl)aniline

2-bromo-N-(3,4-dimethylcyclohexyl)aniline (PubChem CID 64731596) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-bromo-N-(3,4-dimethylcyclohexyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(3,4-dimethylcyclohexyl)aniline
PubChem CID64731596
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name2-bromo-N-(3,4-dimethylcyclohexyl)aniline
SMILESCC1CCC(Nc2ccccc2Br)CC1C
InChIInChI=1S/C14H20BrN/c1-10-7-8-12(9-11(10)2)16-14-6-4-3-5-13(14)15/h3-6,10-12,16H,7-9H2,1-2H3
InChIKeyFAKVZJILXYOILR-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(3-methylcyclopentyl)aniline
CID 64501645
2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide
CID 64743862
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethyl)aniline
CID 102903864
5-bromo-2-chloro-N-(3,4-dimethylcyclohexyl)aniline
CID 64744650
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
N-(3,4-dimethylcyclohexyl)-2-(triazol-1-yl)aniline
CID 64733183
3-bromo-2-methyl-N-(3-methylcyclopentyl)aniline
CID 107629941
N-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 64734525
N-(3,4-dimethylcyclohexyl)-2-prop-2-enylsulfanylaniline
CID 64747196
5-bromo-N-(3,4-dimethylcyclohexyl)-2-methoxyaniline
CID 64744839
3-N-(3,4-dimethylcyclohexyl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 64733175
N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 53302872

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3,4-dimethylcyclohexyl)aniline?
The IUPAC name of 2-bromo-N-(3,4-dimethylcyclohexyl)aniline (CID 64731596) is 2-bromo-N-(3,4-dimethylcyclohexyl)aniline.
What is the SMILES notation for 2-bromo-N-(3,4-dimethylcyclohexyl)aniline?
The canonical SMILES for 2-bromo-N-(3,4-dimethylcyclohexyl)aniline is CC1CCC(Nc2ccccc2Br)CC1C.
What is the InChIKey of 2-bromo-N-(3,4-dimethylcyclohexyl)aniline?
The InChIKey is FAKVZJILXYOILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-7-8-12(9-11(10)2)16-14-6-4-3-5-13(14)15/h3-6,10-12,16H,7-9H2,1-2H3.
What are the key properties of 2-bromo-N-(3,4-dimethylcyclohexyl)aniline?
2-bromo-N-(3,4-dimethylcyclohexyl)aniline has a molecular weight of 282.22 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3,4-dimethylcyclohexyl)aniline is sourced from PubChem (CID 64731596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).