N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline

C16H25NO — CID 64762986

IUPACN-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC2CC(C)CCC2C)c1
InChIInChI=1S/C16H25NO/c1-12-7-8-13(2)16(9-12)17-15-6-4-5-14(10-15)11-18-3/h4-6,10,12-13,16-17H,7-9,11H2,1-3H3
InChIKeyHDMLPBXJAWNWEB-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.07
Rot. Bonds4

About N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline

N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline (PubChem CID 64762986) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline
PubChem CID64762986
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC2CC(C)CCC2C)c1
InChIInChI=1S/C16H25NO/c1-12-7-8-13(2)16(9-12)17-15-6-4-5-14(10-15)11-18-3/h4-6,10,12-13,16-17H,7-9,11H2,1-3H3
InChIKeyHDMLPBXJAWNWEB-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
CID 64761884
3-[(2,5-dimethylcyclohexyl)amino]phenol
CID 64776789
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643
3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
3-bromo-N-(2,5-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 64762886
2-[3-(methoxymethyl)anilino]cycloheptane-1-carbonitrile
CID 55114661
N-[3-[(2,5-dimethylcyclohexyl)amino]phenyl]cyclopropanecarboxamide
CID 64773730
N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-(methylsulfonylmethyl)aniline
CID 129374172
N-(2,5-dimethylcyclohexyl)-3,4-difluoroaniline
CID 64776575
3-(methoxymethyl)-N-methylaniline
CID 23080905

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline?
The IUPAC name of N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline (CID 64762986) is N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline.
What is the SMILES notation for N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline?
The canonical SMILES for N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline is COCc1cccc(NC2CC(C)CCC2C)c1.
What is the InChIKey of N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline?
The InChIKey is HDMLPBXJAWNWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-7-8-13(2)16(9-12)17-15-6-4-5-14(10-15)11-18-3/h4-6,10,12-13,16-17H,7-9,11H2,1-3H3.
What are the key properties of N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline?
N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline has a molecular weight of 247.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline is sourced from PubChem (CID 64762986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).