4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline

C16H24BrN — CID 107571712

IUPAC4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
SMILESCc1cc(NC2CCC(C)C(C)C2)cc(C)c1Br
InChIInChI=1S/C16H24BrN/c1-10-5-6-14(7-11(10)2)18-15-8-12(3)16(17)13(4)9-15/h8-11,14,18H,5-7H2,1-4H3
InChIKeyOFHIIMZKERWFJK-UHFFFAOYSA-N
MW310.28 g/mol
LogP5.30
Rot. Bonds2

About 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline

4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline (PubChem CID 107571712) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
PubChem CID107571712
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC Name4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
SMILESCc1cc(NC2CCC(C)C(C)C2)cc(C)c1Br
InChIInChI=1S/C16H24BrN/c1-10-5-6-14(7-11(10)2)18-15-8-12(3)16(17)13(4)9-15/h8-11,14,18H,5-7H2,1-4H3
InChIKeyOFHIIMZKERWFJK-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.28
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
6-bromo-N-(3,4-dimethylcyclohexyl)-5-methylpyridin-3-amine
CID 114050192
4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline
CID 107571985
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665
3-bromo-N-(3,4-dimethylcyclohexyl)-5-methoxyaniline
CID 82858459
1-N-(3,4-dimethylcyclohexyl)-4-methylbenzene-1,3-diamine
CID 64738718
4-[(3,4-dimethylcyclohexyl)amino]-2-methylbenzoic acid
CID 81282708
4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
CID 107571840
2-bromo-4-[(3,4-dimethylcyclohexyl)amino]benzoic acid
CID 107282136
4-bromo-N-(3,4-dimethylcyclohexyl)-3-nitroaniline
CID 79768143
N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 107572198
N-(3,4-dimethylcyclohexyl)-4,6-dimethylpyrimidin-2-amine
CID 64741526

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline (CID 107571712) is 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline is Cc1cc(NC2CCC(C)C(C)C2)cc(C)c1Br.
What is the InChIKey of 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline?
The InChIKey is OFHIIMZKERWFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-10-5-6-14(7-11(10)2)18-15-8-12(3)16(17)13(4)9-15/h8-11,14,18H,5-7H2,1-4H3.
What are the key properties of 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline?
4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline has a molecular weight of 310.28 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline is sourced from PubChem (CID 107571712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).