N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline

C16H25NO — CID 79828961

IUPACN-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC1CCCCC1(C)C
InChIInChI=1S/C16H25NO/c1-16(2)11-7-6-10-15(16)17-14-9-5-4-8-13(14)12-18-3/h4-5,8-9,15,17H,6-7,10-12H2,1-3H3
InChIKeyMSUPHMDTWFUEDZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.21
Rot. Bonds4

About N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline

N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline (PubChem CID 79828961) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline
PubChem CID79828961
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC1CCCCC1(C)C
InChIInChI=1S/C16H25NO/c1-16(2)11-7-6-10-15(16)17-14-9-5-4-8-13(14)12-18-3/h4-5,8-9,15,17H,6-7,10-12H2,1-3H3
InChIKeyMSUPHMDTWFUEDZ-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline (CID 79828961) is N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline is COCc1ccccc1NC1CCCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline?
The InChIKey is MSUPHMDTWFUEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)11-7-6-10-15(16)17-14-9-5-4-8-13(14)12-18-3/h4-5,8-9,15,17H,6-7,10-12H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline?
N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline has a molecular weight of 247.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline is sourced from PubChem (CID 79828961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).