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

C17H26BrN — CID 107571902

IUPAC4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(NC2CCCCC2C(C)C)cc(C)c1Br
InChIInChI=1S/C17H26BrN/c1-11(2)15-7-5-6-8-16(15)19-14-9-12(3)17(18)13(4)10-14/h9-11,15-16,19H,5-8H2,1-4H3
InChIKeyGUXOFBQVVRKGNR-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.69
Rot. Bonds3

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

4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline (PubChem CID 107571902) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline
PubChem CID107571902
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(NC2CCCCC2C(C)C)cc(C)c1Br
InChIInChI=1S/C17H26BrN/c1-11(2)15-7-5-6-8-16(15)19-14-9-12(3)17(18)13(4)10-14/h9-11,15-16,19H,5-8H2,1-4H3
InChIKeyGUXOFBQVVRKGNR-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

5-methyl-3-N-(2-propan-2-ylcyclohexyl)benzene-1,3-diamine
CID 112648163
4-bromo-3,5-dimethyl-N-(2-methylcyclohexyl)aniline
CID 107571840
4-bromo-3,5-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 107572276
4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665
3,5-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 107572571
5-bromo-4-methyl-N-(2-propan-2-ylcyclohexyl)pyridin-2-amine
CID 114869348
N-(2-propan-2-ylcyclohexyl)pyrimidin-5-amine
CID 107587867
5-iodo-2-methyl-N-(2-propan-2-ylcyclohexyl)aniline
CID 114257107
trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine
CID 124709501
2,6-dichloro-4-fluoro-N-(2-propan-2-ylcyclohexyl)aniline
CID 83078747
N-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 142212218
5-methoxy-2-methyl-N-(2-propan-2-ylcyclohexyl)pyridin-4-amine
CID 106660631

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline (CID 107571902) is 4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline is Cc1cc(NC2CCCCC2C(C)C)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline?
The InChIKey is GUXOFBQVVRKGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-11(2)15-7-5-6-8-16(15)19-14-9-12(3)17(18)13(4)10-14/h9-11,15-16,19H,5-8H2,1-4H3.
What are the key properties of 4-bromo-3,5-dimethyl-N-(2-propan-2-ylcyclohexyl)aniline?
4-bromo-3,5-dimethyl-N-(2-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-(2-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107571902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).