2,5-dimethyl-N-(2-phenylcyclohexyl)aniline

C20H25N — CID 43765908

IUPAC2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
SMILESCc1ccc(C)c(NC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C20H25N/c1-15-12-13-16(2)20(14-15)21-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,12-14,18-19,21H,6-7,10-11H2,1-2H3
InChIKeyZKJLLLBFIOFEJX-UHFFFAOYSA-N
MW279.43 g/mol
LogP5.44
Rot. Bonds3

About 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline

2,5-dimethyl-N-(2-phenylcyclohexyl)aniline (PubChem CID 43765908) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
PubChem CID43765908
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name2,5-dimethyl-N-(2-phenylcyclohexyl)aniline
SMILESCc1ccc(C)c(NC2CCCCC2c2ccccc2)c1
InChIInChI=1S/C20H25N/c1-15-12-13-16(2)20(14-15)21-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,12-14,18-19,21H,6-7,10-11H2,1-2H3
InChIKeyZKJLLLBFIOFEJX-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43764911
4-bromo-2-methyl-N-(2-phenylcyclohexyl)aniline
CID 43758826
trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol
CID 15550734
2,4-dibromo-N-(2-phenylcyclohexyl)aniline
CID 63427209
3,5-difluoro-N-(2-phenylcyclohexyl)aniline
CID 43765027
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
3-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762869
4-methoxy-N-[2-(3-methylphenyl)cyclohexyl]aniline
CID 135074214
(3S,4R)-4-(2,5-dimethylanilino)oxolan-3-ol
CID 93384487
3-chloro-5-fluoro-N-(2-phenylcyclohexyl)aniline
CID 107364297

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline?
The IUPAC name of 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline (CID 43765908) is 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline.
What is the SMILES notation for 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline?
The canonical SMILES for 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline is Cc1ccc(C)c(NC2CCCCC2c2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline?
The InChIKey is ZKJLLLBFIOFEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-15-12-13-16(2)20(14-15)21-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-5,8-9,12-14,18-19,21H,6-7,10-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline?
2,5-dimethyl-N-(2-phenylcyclohexyl)aniline has a molecular weight of 279.43 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-phenylcyclohexyl)aniline is sourced from PubChem (CID 43765908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).