3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline

C15H22BrN — CID 107582382

IUPAC3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline
SMILESCc1cc(Br)cc(NC2CC(C)CCC2C)c1
InChIInChI=1S/C15H22BrN/c1-10-4-5-12(3)15(8-10)17-14-7-11(2)6-13(16)9-14/h6-7,9-10,12,15,17H,4-5,8H2,1-3H3
InChIKeyVDOIADSFACYOFO-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.99
Rot. Bonds2

About 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline

3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline (PubChem CID 107582382) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline
PubChem CID107582382
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline
SMILESCc1cc(Br)cc(NC2CC(C)CCC2C)c1
InChIInChI=1S/C15H22BrN/c1-10-4-5-12(3)15(8-10)17-14-7-11(2)6-13(16)9-14/h6-7,9-10,12,15,17H,4-5,8H2,1-3H3
InChIKeyVDOIADSFACYOFO-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline?
The IUPAC name of 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline (CID 107582382) is 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline.
What is the SMILES notation for 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline?
The canonical SMILES for 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline is Cc1cc(Br)cc(NC2CC(C)CCC2C)c1.
What is the InChIKey of 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline?
The InChIKey is VDOIADSFACYOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-10-4-5-12(3)15(8-10)17-14-7-11(2)6-13(16)9-14/h6-7,9-10,12,15,17H,4-5,8H2,1-3H3.
What are the key properties of 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline?
3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline has a molecular weight of 296.25 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline is sourced from PubChem (CID 107582382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).