3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline

C14H21NO — CID 65044502

IUPAC3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
SMILESCOCc1cccc(NC2CCCC2C)c1
InChIInChI=1S/C14H21NO/c1-11-5-3-8-14(11)15-13-7-4-6-12(9-13)10-16-2/h4,6-7,9,11,14-15H,3,5,8,10H2,1-2H3
InChIKeyXCVLPMGMHTUXCY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.43
Rot. Bonds4

About 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline

3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline (PubChem CID 65044502) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
PubChem CID65044502
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
SMILESCOCc1cccc(NC2CCCC2C)c1
InChIInChI=1S/C14H21NO/c1-11-5-3-8-14(11)15-13-7-4-6-12(9-13)10-16-2/h4,6-7,9,11,14-15H,3,5,8,10H2,1-2H3
InChIKeyXCVLPMGMHTUXCY-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643
N-(2,5-dimethylcyclohexyl)-3-(methoxymethyl)aniline
CID 64762986
3-methoxy-N-[(1S,2S)-2-methylcyclopentyl]aniline
CID 96923143
2-[3-(methoxymethyl)anilino]cycloheptane-1-carbonitrile
CID 55114661
3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65084477
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
CID 64761884
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
CID 54896550
tert-butyl N-methyl-N-[[3-[(2-methylcyclopentyl)amino]phenyl]methyl]carbamate
CID 107243034
2-methoxy-N-[3-[(2-methylcyclohexyl)amino]phenyl]acetamide
CID 43713084
2-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815752
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline?
The IUPAC name of 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline (CID 65044502) is 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline.
What is the SMILES notation for 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline?
The canonical SMILES for 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline is COCc1cccc(NC2CCCC2C)c1.
What is the InChIKey of 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline?
The InChIKey is XCVLPMGMHTUXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-3-8-14(11)15-13-7-4-6-12(9-13)10-16-2/h4,6-7,9,11,14-15H,3,5,8,10H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline?
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline has a molecular weight of 219.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline is sourced from PubChem (CID 65044502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).