2-amino-1-phenylpyrrolidin-3-ol

C10H14N2O — CID 154695235

IUPAC2-amino-1-phenylpyrrolidin-3-ol
SMILESNC1C(O)CCN1c1ccccc1
InChIInChI=1S/C10H14N2O/c11-10-9(13)6-7-12(10)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,11H2
InChIKeyXUXJJFOXJDOGQC-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.54
Rot. Bonds1

About 2-amino-1-phenylpyrrolidin-3-ol

2-amino-1-phenylpyrrolidin-3-ol (PubChem CID 154695235) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-amino-1-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-amino-1-phenylpyrrolidin-3-ol
PubChem CID154695235
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-amino-1-phenylpyrrolidin-3-ol
SMILESNC1C(O)CCN1c1ccccc1
InChIInChI=1S/C10H14N2O/c11-10-9(13)6-7-12(10)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,11H2
InChIKeyXUXJJFOXJDOGQC-UHFFFAOYSA-N
XLogP0.54
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethyl-1-phenylpyrrolidin-3-ol
CID 167069518
(2S)-1-phenylazetidine-2-carboxylic acid
CID 57017156
1-(4-aminophenyl)-3-hydroxypyrrolidine-2-carboxylic acid
CID 12011688
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone
CID 164769489
2-benzyl-1-phenylazetidine
CID 163998842
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
1-phenylpiperidine-2,4-dicarboxylic acid
CID 174902187
2-(1-hydroxypropyl)-1-phenylpiperidin-4-ol
CID 67110983
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1-phenylpyrrolidin-3-ol
CID 11171152
[(2R,3R)-2-methyl-1-phenylpiperidin-3-yl]methanamine
CID 96618250

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylpyrrolidin-3-ol?
The IUPAC name of 2-amino-1-phenylpyrrolidin-3-ol (CID 154695235) is 2-amino-1-phenylpyrrolidin-3-ol.
What is the SMILES notation for 2-amino-1-phenylpyrrolidin-3-ol?
The canonical SMILES for 2-amino-1-phenylpyrrolidin-3-ol is NC1C(O)CCN1c1ccccc1.
What is the InChIKey of 2-amino-1-phenylpyrrolidin-3-ol?
The InChIKey is XUXJJFOXJDOGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-10-9(13)6-7-12(10)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,11H2.
What are the key properties of 2-amino-1-phenylpyrrolidin-3-ol?
2-amino-1-phenylpyrrolidin-3-ol has a molecular weight of 178.24 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylpyrrolidin-3-ol is sourced from PubChem (CID 154695235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).