2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol

C13H19NO2 — CID 117316086

IUPAC2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(C2(CN)CCCC2)cc1O
InChIInChI=1S/C13H19NO2/c1-9-6-12(16)10(7-11(9)15)13(8-14)4-2-3-5-13/h6-7,15-16H,2-5,8,14H2,1H3
InChIKeyVGQLNQDTJCFEPL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds2

About 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol

2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol (PubChem CID 117316086) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
PubChem CID117316086
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
SMILESCc1cc(O)c(C2(CN)CCCC2)cc1O
InChIInChI=1S/C13H19NO2/c1-9-6-12(16)10(7-11(9)15)13(8-14)4-2-3-5-13/h6-7,15-16H,2-5,8,14H2,1H3
InChIKeyVGQLNQDTJCFEPL-UHFFFAOYSA-N
XLogP2.18
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol 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

2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
CID 117285302
4-[1-(aminomethyl)cyclopentyl]-2,3,6-trimethylphenol
CID 117113307
2-[1-(aminomethyl)cyclobutyl]-5-methylphenol
CID 82604285
4-[1-(aminomethyl)cyclohexyl]-2,3,6-trimethylphenol
CID 117113435
6-[1-(aminomethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-ol
CID 117338492
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
CID 117352123
3-[1-(aminomethyl)cyclopentyl]-4-fluoro-5-methylphenol
CID 117320311

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol (CID 117316086) is 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol is Cc1cc(O)c(C2(CN)CCCC2)cc1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol?
The InChIKey is VGQLNQDTJCFEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-12(16)10(7-11(9)15)13(8-14)4-2-3-5-13/h6-7,15-16H,2-5,8,14H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol?
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol has a molecular weight of 221.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol is sourced from PubChem (CID 117316086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).