1-(2-amino-2-phenylethyl)pyrrolidin-3-ol

C12H18N2O — CID 18939029

IUPAC1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
SMILESNC(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C12H18N2O/c13-12(10-4-2-1-3-5-10)9-14-7-6-11(15)8-14/h1-5,11-12,15H,6-9,13H2
InChIKeyBYNWVRNKTROCHH-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.75
Rot. Bonds3

About 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol

1-(2-amino-2-phenylethyl)pyrrolidin-3-ol (PubChem CID 18939029) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
PubChem CID18939029
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
SMILESNC(CN1CCC(O)C1)c1ccccc1
InChIInChI=1S/C12H18N2O/c13-12(10-4-2-1-3-5-10)9-14-7-6-11(15)8-14/h1-5,11-12,15H,6-9,13H2
InChIKeyBYNWVRNKTROCHH-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2S)-2-(methylamino)-2-phenylethyl]pyrrolidin-3-ol;dihydrochloride
CID 23594216
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 62941753
(3S)-1-[2-(2,2-dimethoxyethylamino)-2-phenylethyl]pyrrolidin-3-ol
CID 70341809
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
[(1R,2S)-3-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-1-phenylpropyl]-methylazanide
CID 87107217
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 63771038
4-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 107217247
4-amino-1-(3-hydroxypyrrolidin-1-yl)-4-phenylbutan-1-one
CID 63323919
2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride
CID 134586238
N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2,2-diphenylpropanamide;hydrochloride
CID 68537889

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol (CID 18939029) is 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol is NC(CN1CCC(O)C1)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol?
The InChIKey is BYNWVRNKTROCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12(10-4-2-1-3-5-10)9-14-7-6-11(15)8-14/h1-5,11-12,15H,6-9,13H2.
What are the key properties of 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol?
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol has a molecular weight of 206.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 18939029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).