N-(2-methoxycyclohexyl)-2,5-dimethylaniline

C15H23NO — CID 2850171

IUPACN-(2-methoxycyclohexyl)-2,5-dimethylaniline
SMILESCOC1CCCCC1Nc1cc(C)ccc1C
InChIInChI=1S/C15H23NO/c1-11-8-9-12(2)14(10-11)16-13-6-4-5-7-15(13)17-3/h8-10,13,15-16H,4-7H2,1-3H3
InChIKeyUUDIMGZYVHTDFS-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.67
Rot. Bonds3

About N-(2-methoxycyclohexyl)-2,5-dimethylaniline

N-(2-methoxycyclohexyl)-2,5-dimethylaniline (PubChem CID 2850171) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-2,5-dimethylaniline.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-2,5-dimethylaniline
PubChem CID2850171
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(2-methoxycyclohexyl)-2,5-dimethylaniline
SMILESCOC1CCCCC1Nc1cc(C)ccc1C
InChIInChI=1S/C15H23NO/c1-11-8-9-12(2)14(10-11)16-13-6-4-5-7-15(13)17-3/h8-10,13,15-16H,4-7H2,1-3H3
InChIKeyUUDIMGZYVHTDFS-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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-2,5-dimethylaniline?
The IUPAC name of N-(2-methoxycyclohexyl)-2,5-dimethylaniline (CID 2850171) is N-(2-methoxycyclohexyl)-2,5-dimethylaniline.
What is the SMILES notation for N-(2-methoxycyclohexyl)-2,5-dimethylaniline?
The canonical SMILES for N-(2-methoxycyclohexyl)-2,5-dimethylaniline is COC1CCCCC1Nc1cc(C)ccc1C.
What is the InChIKey of N-(2-methoxycyclohexyl)-2,5-dimethylaniline?
The InChIKey is UUDIMGZYVHTDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-9-12(2)14(10-11)16-13-6-4-5-7-15(13)17-3/h8-10,13,15-16H,4-7H2,1-3H3.
What are the key properties of N-(2-methoxycyclohexyl)-2,5-dimethylaniline?
N-(2-methoxycyclohexyl)-2,5-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)-2,5-dimethylaniline is sourced from PubChem (CID 2850171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).