2-[(cyclopentylamino)methyl]-6-methoxyphenol

C13H19NO2 — CID 3617158

IUPAC2-[(cyclopentylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNC2CCCC2)c1O
InChIInChI=1S/C13H19NO2/c1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3
InChIKeyUXZVPHLFAODMJP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.43
Rot. Bonds4

About 2-[(cyclopentylamino)methyl]-6-methoxyphenol

2-[(cyclopentylamino)methyl]-6-methoxyphenol (PubChem CID 3617158) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(cyclopentylamino)methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(cyclopentylamino)methyl]-6-methoxyphenol
PubChem CID3617158
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(cyclopentylamino)methyl]-6-methoxyphenol
SMILESCOc1cccc(CNC2CCCC2)c1O
InChIInChI=1S/C13H19NO2/c1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3
InChIKeyUXZVPHLFAODMJP-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(cyclopentylamino)methyl]-6-methoxyphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopentylamino)methyl]-6-methoxyphenol?
The IUPAC name of 2-[(cyclopentylamino)methyl]-6-methoxyphenol (CID 3617158) is 2-[(cyclopentylamino)methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(cyclopentylamino)methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(cyclopentylamino)methyl]-6-methoxyphenol is COc1cccc(CNC2CCCC2)c1O.
What is the InChIKey of 2-[(cyclopentylamino)methyl]-6-methoxyphenol?
The InChIKey is UXZVPHLFAODMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[(cyclopentylamino)methyl]-6-methoxyphenol?
2-[(cyclopentylamino)methyl]-6-methoxyphenol has a molecular weight of 221.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopentylamino)methyl]-6-methoxyphenol is sourced from PubChem (CID 3617158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).