[2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol

C13H20N2O — CID 115032230

IUPAC[2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol
SMILESNCCc1ccccc1C(O)C1CCNC1
InChIInChI=1S/C13H20N2O/c14-7-5-10-3-1-2-4-12(10)13(16)11-6-8-15-9-11/h1-4,11,13,15-16H,5-9,14H2
InChIKeySPOLVOLDZSTTGN-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.83
Rot. Bonds4

About [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol

[2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol (PubChem CID 115032230) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol
PubChem CID115032230
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol
SMILESNCCc1ccccc1C(O)C1CCNC1
InChIInChI=1S/C13H20N2O/c14-7-5-10-3-1-2-4-12(10)13(16)11-6-8-15-9-11/h1-4,11,13,15-16H,5-9,14H2
InChIKeySPOLVOLDZSTTGN-UHFFFAOYSA-N
XLogP0.83
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol 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-(aminomethyl)phenyl]-piperidin-3-ylmethanol
CID 115032227
3-[1-fluoro-2-(2-fluorophenyl)ethyl]pyrrolidine
CID 105464966
(2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol
CID 105464076
2-[hydroxy(piperidin-3-yl)methyl]benzaldehyde
CID 115031452
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanol
CID 80559408
2-[2-[1-(oxan-4-yl)ethyl]phenyl]ethanamine
CID 115039806
(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
CID 83693932
2-[2-[fluoro(oxan-3-yl)methyl]phenyl]ethanamine
CID 115042163
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
3-[1-(2-fluorophenyl)-2-methylpropyl]pyrrolidine
CID 83910621
2-[2-(1-fluoro-2-methylpropyl)phenyl]ethanamine
CID 115020375
[2-(1-pyrrolidin-3-ylpropoxy)phenyl]methanol
CID 22276061

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol?
The IUPAC name of [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol (CID 115032230) is [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol is NCCc1ccccc1C(O)C1CCNC1.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol?
The InChIKey is SPOLVOLDZSTTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-7-5-10-3-1-2-4-12(10)13(16)11-6-8-15-9-11/h1-4,11,13,15-16H,5-9,14H2.
What are the key properties of [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol?
[2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol has a molecular weight of 220.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol is sourced from PubChem (CID 115032230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).