5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline

C17H26BrN — CID 112681987

IUPAC5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
SMILESCc1ccc(Br)cc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H26BrN/c1-12-6-7-13(18)8-15(12)19-14-9-16(2,3)11-17(4,5)10-14/h6-8,14,19H,9-11H2,1-5H3
InChIKeyJJZICIUAVNRZQM-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.77
Rot. Bonds2

About 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline

5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline (PubChem CID 112681987) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
PubChem CID112681987
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
SMILESCc1ccc(Br)cc1NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H26BrN/c1-12-6-7-13(18)8-15(12)19-14-9-16(2,3)11-17(4,5)10-14/h6-8,14,19H,9-11H2,1-5H3
InChIKeyJJZICIUAVNRZQM-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681828
5-bromo-N-(3,3-dimethylcyclopentyl)-2-methylaniline
CID 80705464
1-N-(5-bromo-2-methylphenyl)cyclobutane-1,3-diamine
CID 80560844
3-bromo-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681853
N-(5-bromo-2-methylphenyl)thian-4-amine
CID 43729710
5-bromo-N-[3-(4-bromophenyl)cyclobutyl]-2-methylaniline
CID 43729681
N-(5-bromo-2-methylphenyl)-5-methylthiolan-3-amine
CID 79941633
2,5-difluoro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 112681832
N-(5-bromo-2-methylphenyl)adamantan-2-amine
CID 43729666
5-bromo-N-[3-(4-fluorophenyl)cyclobutyl]-2-methylaniline
CID 43729668
4-bromo-2-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
CID 130201997
4-bromo-2-N-(4,4-dimethylcyclohexyl)benzene-1,2-diamine
CID 65342799

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The IUPAC name of 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline (CID 112681987) is 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline.
What is the SMILES notation for 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The canonical SMILES for 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline is Cc1ccc(Br)cc1NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
The InChIKey is JJZICIUAVNRZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-12-6-7-13(18)8-15(12)19-14-9-16(2,3)11-17(4,5)10-14/h6-8,14,19H,9-11H2,1-5H3.
What are the key properties of 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline?
5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline has a molecular weight of 324.31 g/mol, XLogP of 5.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(3,3,5,5-tetramethylcyclohexyl)aniline is sourced from PubChem (CID 112681987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).