N-(2-methoxycyclohexyl)-3,4-dimethylaniline

C15H23NO — CID 2850833

IUPACN-(2-methoxycyclohexyl)-3,4-dimethylaniline
SMILESCOC1CCCCC1Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO/c1-11-8-9-13(10-12(11)2)16-14-6-4-5-7-15(14)17-3/h8-10,14-16H,4-7H2,1-3H3
InChIKeyCCKVKDWMBPBQII-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.67
Rot. Bonds3

About N-(2-methoxycyclohexyl)-3,4-dimethylaniline

N-(2-methoxycyclohexyl)-3,4-dimethylaniline (PubChem CID 2850833) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-3,4-dimethylaniline.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-3,4-dimethylaniline
PubChem CID2850833
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(2-methoxycyclohexyl)-3,4-dimethylaniline
SMILESCOC1CCCCC1Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO/c1-11-8-9-13(10-12(11)2)16-14-6-4-5-7-15(14)17-3/h8-10,14-16H,4-7H2,1-3H3
InChIKeyCCKVKDWMBPBQII-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
N-(2-methoxycyclohexyl)-2,5-dimethylaniline
CID 2850171
N-(2-methoxycyclohexyl)-3,5-dimethylaniline
CID 2851638
2-[4-(4-Methylamino-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925826
Icmt-IN-41
CID 53387389
4-(3,4-Dimethyl-phenylamino)-butan-1-ol
CID 1787855
2-Phenyl-2-(p-tolylamino)-ethanol
CID 10868027
Glycine, N-(3,4-dimethylphenyl)-, ethyl ester
CID 302669
2-Propanol, 1-(isopropylamino)-3-(2,3-xylidino)-, monohydrochloride
CID 209577
N-(2-methoxycyclohexyl)aniline
CID 2851809
4-(aminomethyl)-N-(2-methoxyethyl)aniline
CID 47002421
trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 11172972

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-3,4-dimethylaniline?
The IUPAC name of N-(2-methoxycyclohexyl)-3,4-dimethylaniline (CID 2850833) is N-(2-methoxycyclohexyl)-3,4-dimethylaniline.
What is the SMILES notation for N-(2-methoxycyclohexyl)-3,4-dimethylaniline?
The canonical SMILES for N-(2-methoxycyclohexyl)-3,4-dimethylaniline is COC1CCCCC1Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(2-methoxycyclohexyl)-3,4-dimethylaniline?
The InChIKey is CCKVKDWMBPBQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-9-13(10-12(11)2)16-14-6-4-5-7-15(14)17-3/h8-10,14-16H,4-7H2,1-3H3.
What are the key properties of N-(2-methoxycyclohexyl)-3,4-dimethylaniline?
N-(2-methoxycyclohexyl)-3,4-dimethylaniline has a molecular weight of 233.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-3,4-dimethylaniline is sourced from PubChem (CID 2850833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).