[2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

C14H20N2O — CID 121204341

IUPAC[2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESNc1ccccc1N1CC2CCCC2(CO)C1
InChIInChI=1S/C14H20N2O/c15-12-5-1-2-6-13(12)16-8-11-4-3-7-14(11,9-16)10-17/h1-2,5-6,11,17H,3-4,7-10,15H2
InChIKeyCMQGOQRKBNFPJB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.87
Rot. Bonds2

About [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol

[2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (PubChem CID 121204341) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
PubChem CID121204341
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
SMILESNc1ccccc1N1CC2CCCC2(CO)C1
InChIInChI=1S/C14H20N2O/c15-12-5-1-2-6-13(12)16-8-11-4-3-7-14(11,9-16)10-17/h1-2,5-6,11,17H,3-4,7-10,15H2
InChIKeyCMQGOQRKBNFPJB-UHFFFAOYSA-N
XLogP1.87
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol 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-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The IUPAC name of [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol (CID 121204341) is [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The canonical SMILES for [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is Nc1ccccc1N1CC2CCCC2(CO)C1.
What is the InChIKey of [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
The InChIKey is CMQGOQRKBNFPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-12-5-1-2-6-13(12)16-8-11-4-3-7-14(11,9-16)10-17/h1-2,5-6,11,17H,3-4,7-10,15H2.
What are the key properties of [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol?
[2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol has a molecular weight of 232.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminophenyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 121204341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).