(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol

C13H20N2O — CID 107862197

IUPAC(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
SMILESOC[C@@H](NCC1CCCN1)c1ccccc1
InChIInChI=1S/C13H20N2O/c16-10-13(11-5-2-1-3-6-11)15-9-12-7-4-8-14-12/h1-3,5-6,12-16H,4,7-10H2/t12?,13-/m1/s1
InChIKeyUKJXEZQFKFSXGF-ZGTCLIOFSA-N
MW220.32 g/mol
LogP1.06
Rot. Bonds5

About (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol

(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol (PubChem CID 107862197) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
PubChem CID107862197
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol
SMILESOC[C@@H](NCC1CCCN1)c1ccccc1
InChIInChI=1S/C13H20N2O/c16-10-13(11-5-2-1-3-6-11)15-9-12-7-4-8-14-12/h1-3,5-6,12-16H,4,7-10H2/t12?,13-/m1/s1
InChIKeyUKJXEZQFKFSXGF-ZGTCLIOFSA-N
XLogP1.06
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79539961
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
(2S)-2-[1-(azepan-2-yl)propan-2-ylamino]-2-phenylethanol
CID 107862315
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
cumene;pyrrolidin-2-ylmethanol
CID 142237933
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
(2R)-2-phenyl-2-(thiolan-3-ylmethylamino)ethanol
CID 107166604
1-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106637287
1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79540027
2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 80686709
(2R)-2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-phenylethanol
CID 103766373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol?
The IUPAC name of (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol (CID 107862197) is (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol.
What is the SMILES notation for (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol?
The canonical SMILES for (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol is OC[C@@H](NCC1CCCN1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol?
The InChIKey is UKJXEZQFKFSXGF-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H20N2O/c16-10-13(11-5-2-1-3-6-11)15-9-12-7-4-8-14-12/h1-3,5-6,12-16H,4,7-10H2/t12?,13-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol?
(2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(pyrrolidin-2-ylmethylamino)ethanol is sourced from PubChem (CID 107862197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).