4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline

C17H26BrN — CID 107571665

IUPAC4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(NC2CCCC(C(C)C)C2)cc(C)c1Br
InChIInChI=1S/C17H26BrN/c1-11(2)14-6-5-7-15(10-14)19-16-8-12(3)17(18)13(4)9-16/h8-9,11,14-15,19H,5-7,10H2,1-4H3
InChIKeyFABGKFPFWIYOJY-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.69
Rot. Bonds3

About 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline

4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107571665) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107571665
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(NC2CCCC(C(C)C)C2)cc(C)c1Br
InChIInChI=1S/C17H26BrN/c1-11(2)14-6-5-7-15(10-14)19-16-8-12(3)17(18)13(4)9-16/h8-9,11,14-15,19H,5-7,10H2,1-4H3
InChIKeyFABGKFPFWIYOJY-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447823
3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829
4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447762
4-bromo-N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 107571712
4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline
CID 107571902
4-bromo-3,5-dimethyl-N-(3-methylcyclobutyl)aniline
CID 107571985
3-methyl-4-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448438
N-(4-bromo-3,5-dimethylphenyl)oxepan-4-amine
CID 103582092
N-(4-bromo-3,5-dimethylphenyl)-4-propylcycloheptan-1-amine
CID 107572198
N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 79055016
N-(3-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-5-amine
CID 107447796
4-bromo-3-methyl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419168

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline (CID 107571665) is 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline is Cc1cc(NC2CCCC(C(C)C)C2)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is FABGKFPFWIYOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-11(2)14-6-5-7-15(10-14)19-16-8-12(3)17(18)13(4)9-16/h8-9,11,14-15,19H,5-7,10H2,1-4H3.
What are the key properties of 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline?
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 324.31 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107571665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).