2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol

C13H20N2O — CID 64797987

IUPAC2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESNC(CO)(CN1CCCC1)c1ccccc1
InChIInChI=1S/C13H20N2O/c14-13(11-16,10-15-8-4-5-9-15)12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11,14H2
InChIKeyCWANNUMDEAJNCD-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.93
Rot. Bonds4

About 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol

2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 64797987) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID64797987
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESNC(CO)(CN1CCCC1)c1ccccc1
InChIInChI=1S/C13H20N2O/c14-13(11-16,10-15-8-4-5-9-15)12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11,14H2
InChIKeyCWANNUMDEAJNCD-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropan-1-ol
CID 64826847
2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol
CID 64786845
1-(azepan-1-yl)-2-phenylhexan-2-amine
CID 43829768
2-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylpropan-1-ol
CID 66371636
2-amino-3-(2-ethylazepan-1-yl)-2-phenylpropan-1-ol
CID 104692736
2-amino-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-phenylpropan-1-ol
CID 64826452
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116695061
2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116694964
2-(ethylamino)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 64789866
3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride
CID 11972143
2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol
CID 64809901

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol (CID 64797987) is 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol is NC(CO)(CN1CCCC1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is CWANNUMDEAJNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-13(11-16,10-15-8-4-5-9-15)12-6-2-1-3-7-12/h1-3,6-7,16H,4-5,8-11,14H2.
What are the key properties of 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol?
2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 64797987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).