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

C15H22BrN — CID 64773689

IUPAC4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
SMILESCc1cc(Br)ccc1NC1CC(C)CCC1C
InChIInChI=1S/C15H22BrN/c1-10-4-5-11(2)15(8-10)17-14-7-6-13(16)9-12(14)3/h6-7,9-11,15,17H,4-5,8H2,1-3H3
InChIKeyMGRQGWLRMROUEZ-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.99
Rot. Bonds2

About 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline

4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline (PubChem CID 64773689) has the molecular formula C15H22BrN and a molecular weight of 296.25 g/mol. Its IUPAC name is 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
PubChem CID64773689
Molecular FormulaC15H22BrN
Molecular Weight296.25 g/mol
Exact Mass295.09
IUPAC Name4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
SMILESCc1cc(Br)ccc1NC1CC(C)CCC1C
InChIInChI=1S/C15H22BrN/c1-10-4-5-11(2)15(8-10)17-14-7-6-13(16)9-12(14)3/h6-7,9-11,15,17H,4-5,8H2,1-3H3
InChIKeyMGRQGWLRMROUEZ-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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Related Compounds

4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
3-bromo-N-(2,5-dimethylcyclohexyl)-5-methylaniline
CID 107582382
2-(4-bromo-2-methylanilino)cyclopentan-1-ol
CID 60884392
N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
CID 64760687
2,5-dichloro-N-(2,5-dimethylcyclohexyl)-4-methylaniline
CID 113445787
N-(2,5-dimethylcyclohexyl)-4-methylpyridin-3-amine
CID 64762714
N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711
N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769375
N-(2,5-dimethylcyclohexyl)-2-methyl-5-nitroaniline
CID 64762432
2-(4-bromo-2-methylanilino)cyclopentane-1-carbonitrile
CID 62742205
3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
CID 64762636
N-(4-bromo-2-methylphenyl)adamantan-2-amine
CID 43621626

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline?
The IUPAC name of 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline (CID 64773689) is 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline.
What is the SMILES notation for 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline?
The canonical SMILES for 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline is Cc1cc(Br)ccc1NC1CC(C)CCC1C.
What is the InChIKey of 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline?
The InChIKey is MGRQGWLRMROUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN/c1-10-4-5-11(2)15(8-10)17-14-7-6-13(16)9-12(14)3/h6-7,9-11,15,17H,4-5,8H2,1-3H3.
What are the key properties of 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline?
4-bromo-N-(2,5-dimethylcyclohexyl)-2-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 4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline is sourced from PubChem (CID 64773689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).