N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline

C15H23NO — CID 113483352

IUPACN-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline
SMILESCCC1CCCC1Nc1ccccc1COC
InChIInChI=1S/C15H23NO/c1-3-12-8-6-10-14(12)16-15-9-5-4-7-13(15)11-17-2/h4-5,7,9,12,14,16H,3,6,8,10-11H2,1-2H3
InChIKeyZASBUPVHALOQAF-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.82
Rot. Bonds5

About N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline

N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline (PubChem CID 113483352) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline
PubChem CID113483352
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline
SMILESCCC1CCCC1Nc1ccccc1COC
InChIInChI=1S/C15H23NO/c1-3-12-8-6-10-14(12)16-15-9-5-4-7-13(15)11-17-2/h4-5,7,9,12,14,16H,3,6,8,10-11H2,1-2H3
InChIKeyZASBUPVHALOQAF-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[2-(methoxymethyl)anilino]cyclohexan-1-ol
CID 94220692
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
N-[2-(methoxymethyl)phenyl]-4-propylcycloheptan-1-amine
CID 65086704
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
2-[2-(2-methoxyethyl)anilino]cyclopentan-1-ol
CID 102905089
4-tert-butyl-N-[2-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65089478
N-(2-ethylcyclohexyl)-2-propylsulfonylaniline
CID 61470216
2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
CID 62701624
N-(2,2-dimethylcyclohexyl)-2-(methoxymethyl)aniline
CID 79828961
N-[2-(methoxymethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084084
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline?
The IUPAC name of N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline (CID 113483352) is N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline.
What is the SMILES notation for N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline?
The canonical SMILES for N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline is CCC1CCCC1Nc1ccccc1COC.
What is the InChIKey of N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline?
The InChIKey is ZASBUPVHALOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-12-8-6-10-14(12)16-15-9-5-4-7-13(15)11-17-2/h4-5,7,9,12,14,16H,3,6,8,10-11H2,1-2H3.
What are the key properties of N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline?
N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline has a molecular weight of 233.35 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopentyl)-2-(methoxymethyl)aniline is sourced from PubChem (CID 113483352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).