4-(cyclopentylmethoxy)-2-methylaniline

C13H19NO — CID 26190241

IUPAC4-(cyclopentylmethoxy)-2-methylaniline
SMILESCc1cc(OCC2CCCC2)ccc1N
InChIInChI=1S/C13H19NO/c1-10-8-12(6-7-13(10)14)15-9-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3
InChIKeyGAOXDNQJNPWHJJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.15
Rot. Bonds3

About 4-(cyclopentylmethoxy)-2-methylaniline

4-(cyclopentylmethoxy)-2-methylaniline (PubChem CID 26190241) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)-2-methylaniline.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)-2-methylaniline
PubChem CID26190241
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(cyclopentylmethoxy)-2-methylaniline
SMILESCc1cc(OCC2CCCC2)ccc1N
InChIInChI=1S/C13H19NO/c1-10-8-12(6-7-13(10)14)15-9-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3
InChIKeyGAOXDNQJNPWHJJ-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(cyclopentylmethoxy)-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[(4-aminophenoxy)methyl]cyclohexyl]methoxy]-2-methylaniline
CID 146356134
4-(cyclopentylmethoxy)-2-ethoxyaniline
CID 66324490
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
2-bromo-4-(cyclopropylmethoxy)aniline
CID 97179592
1-[4-(cyclopentylmethoxy)-2-methylphenyl]piperidin-4-amine
CID 83137977
1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
CID 68763979
3-(cyclohexylmethoxy)-5-methylaniline
CID 112648470
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
[2-bromo-4-(cyclopentylmethoxy)phenyl]methanamine
CID 107275264
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-(methoxymethoxy)-2-methylaniline
CID 14883323
1-(4-chlorobut-1-ynyl)-4-(cyclohexylmethoxy)-2-methylbenzene
CID 83134803

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)-2-methylaniline?
The IUPAC name of 4-(cyclopentylmethoxy)-2-methylaniline (CID 26190241) is 4-(cyclopentylmethoxy)-2-methylaniline.
What is the SMILES notation for 4-(cyclopentylmethoxy)-2-methylaniline?
The canonical SMILES for 4-(cyclopentylmethoxy)-2-methylaniline is Cc1cc(OCC2CCCC2)ccc1N.
What is the InChIKey of 4-(cyclopentylmethoxy)-2-methylaniline?
The InChIKey is GAOXDNQJNPWHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-8-12(6-7-13(10)14)15-9-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3.
What are the key properties of 4-(cyclopentylmethoxy)-2-methylaniline?
4-(cyclopentylmethoxy)-2-methylaniline has a molecular weight of 205.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)-2-methylaniline is sourced from PubChem (CID 26190241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).