2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol

C12H18N2O — CID 114796856

IUPAC2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
SMILESNc1cccc(N2CCC(CCO)C2)c1
InChIInChI=1S/C12H18N2O/c13-11-2-1-3-12(8-11)14-6-4-10(9-14)5-7-15/h1-3,8,10,15H,4-7,9,13H2
InChIKeyAZPJNNJLFAWXNL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds3

About 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol

2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol (PubChem CID 114796856) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
PubChem CID114796856
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
SMILESNc1cccc(N2CCC(CCO)C2)c1
InChIInChI=1S/C12H18N2O/c13-11-2-1-3-12(8-11)14-6-4-10(9-14)5-7-15/h1-3,8,10,15H,4-7,9,13H2
InChIKeyAZPJNNJLFAWXNL-UHFFFAOYSA-N
XLogP1.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol 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-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
2-[1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]ethanol
CID 114796896
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
2-[1-(4-amino-2-iodophenyl)pyrrolidin-3-yl]ethanol
CID 114796849
2-[2-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]acetonitrile
CID 102624752
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
2-[1-(2-amino-4-pyridinyl)piperidin-3-yl]ethanol
CID 107229186

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol (CID 114796856) is 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol is Nc1cccc(N2CCC(CCO)C2)c1.
What is the InChIKey of 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is AZPJNNJLFAWXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-2-1-3-12(8-11)14-6-4-10(9-14)5-7-15/h1-3,8,10,15H,4-7,9,13H2.
What are the key properties of 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol?
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 206.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114796856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).