N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline

C16H25NO — CID 54861611

IUPACN-(2-methoxycyclohexyl)-2,4,6-trimethylaniline
SMILESCOC1CCCCC1Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H25NO/c1-11-9-12(2)16(13(3)10-11)17-14-7-5-6-8-15(14)18-4/h9-10,14-15,17H,5-8H2,1-4H3
InChIKeyQIIYYSKGQBSNIE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.98
Rot. Bonds3

About N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline

N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline (PubChem CID 54861611) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-2,4,6-trimethylaniline
PubChem CID54861611
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2-methoxycyclohexyl)-2,4,6-trimethylaniline
SMILESCOC1CCCCC1Nc1c(C)cc(C)cc1C
InChIInChI=1S/C16H25NO/c1-11-9-12(2)16(13(3)10-11)17-14-7-5-6-8-15(14)18-4/h9-10,14-15,17H,5-8H2,1-4H3
InChIKeyQIIYYSKGQBSNIE-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
CID 63449328
4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline
CID 65468907
2,3,5,6-tetrafluoro-N-(2-methoxycyclohexyl)aniline
CID 107643580
(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol
CID 143208834
2,4,6-trimethyl-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536673
N-(2,4,6-trimethylphenyl)cycloheptanamine
CID 63448201
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537
2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline
CID 113445401
1-N-(2-methoxycyclopentyl)-4-methylbenzene-1,2-diamine
CID 62088185
2,3,5,6-tetrafluoro-N-(2-methoxycycloheptyl)pyridin-4-amine
CID 102559514
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
N-[(1R,2R)-2-methoxycycloheptyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 146141713

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline (CID 54861611) is N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline is COC1CCCCC1Nc1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline?
The InChIKey is QIIYYSKGQBSNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-9-12(2)16(13(3)10-11)17-14-7-5-6-8-15(14)18-4/h9-10,14-15,17H,5-8H2,1-4H3.
What are the key properties of N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline?
N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline has a molecular weight of 247.38 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 54861611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).