3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol

C13H20N2O — CID 82616433

IUPAC3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
SMILESNC(CCO)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c14-13(7-10-16)11-3-5-12(6-4-11)15-8-1-2-9-15/h3-6,13,16H,1-2,7-10,14H2
InChIKeyAWPBEZOTPHPNID-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds4

About 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol

3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol (PubChem CID 82616433) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
PubChem CID82616433
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
SMILESNC(CCO)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2O/c14-13(7-10-16)11-3-5-12(6-4-11)15-8-1-2-9-15/h3-6,13,16H,1-2,7-10,14H2
InChIKeyAWPBEZOTPHPNID-UHFFFAOYSA-N
XLogP1.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
4-amino-4-(4-piperidin-1-ylphenyl)butanoic acid
CID 117410844
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
1-[4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]butan-1-amine
CID 167106796
(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 171236528
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171245296
(3S)-3-piperazin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171189780
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
3-amino-3-(3-nitro-4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 170874629
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol?
The IUPAC name of 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol (CID 82616433) is 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol is NC(CCO)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol?
The InChIKey is AWPBEZOTPHPNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-13(7-10-16)11-3-5-12(6-4-11)15-8-1-2-9-15/h3-6,13,16H,1-2,7-10,14H2.
What are the key properties of 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol?
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol is sourced from PubChem (CID 82616433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).