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

C16H25NO — CID 64760687

IUPACN-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NC1CC(C)CCC1C
InChIInChI=1S/C16H25NO/c1-11-5-7-13(3)15(9-11)17-14-8-6-12(2)10-16(14)18-4/h6,8,10-11,13,15,17H,5,7,9H2,1-4H3
InChIKeyFNZUFQGOOCBYON-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.24
Rot. Bonds3

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

N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline (PubChem CID 64760687) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
PubChem CID64760687
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NC1CC(C)CCC1C
InChIInChI=1S/C16H25NO/c1-11-5-7-13(3)15(9-11)17-14-8-6-12(2)10-16(14)18-4/h6,8,10-11,13,15,17H,5,7,9H2,1-4H3
InChIKeyFNZUFQGOOCBYON-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylcyclohexyl)-2,4-dimethoxyaniline
CID 64774711
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64760413
3-[(2,5-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 64760719
N-(2,5-dimethylcyclohexyl)-3,4,5-trimethoxyaniline
CID 64776149
4-bromo-N-(2,5-dimethylcyclohexyl)-2-methylaniline
CID 64773689
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098
N-(2,5-dimethylcyclohexyl)-4-methoxy-2-(trifluoromethyl)aniline
CID 64760800
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
CID 65045783
3-(difluoromethoxy)-N-(2,5-dimethylcyclohexyl)-4-methoxyaniline
CID 64761247
N-(2,5-dimethylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769375
4-chloro-N-(2,4-dimethylcyclohexyl)-2,5-dimethoxyaniline
CID 64774100

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline (CID 64760687) is N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline is COc1cc(C)ccc1NC1CC(C)CCC1C.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline?
The InChIKey is FNZUFQGOOCBYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-5-7-13(3)15(9-11)17-14-8-6-12(2)10-16(14)18-4/h6,8,10-11,13,15,17H,5,7,9H2,1-4H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline?
N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-2-methoxy-4-methylaniline is sourced from PubChem (CID 64760687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).