[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol

C13H19NO — CID 66261742

IUPAC[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
SMILESCC(c1ccccc1)N1CCC[C@H]1CO
InChIInChI=1S/C13H19NO/c1-11(12-6-3-2-4-7-12)14-9-5-8-13(14)10-15/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11?,13-/m0/s1
InChIKeyFRBRVIYTVPIOCC-YUZLPWPTSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds3

About [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol

[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol (PubChem CID 66261742) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
PubChem CID66261742
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol
SMILESCC(c1ccccc1)N1CCC[C@H]1CO
InChIInChI=1S/C13H19NO/c1-11(12-6-3-2-4-7-12)14-9-5-8-13(14)10-15/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11?,13-/m0/s1
InChIKeyFRBRVIYTVPIOCC-YUZLPWPTSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 139769246
1-[1-(1-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546242
1-[1-(1-phenylethyl)piperidin-2-yl]propan-2-ol
CID 114338177
[1-(1-phenylethyl)azepan-2-yl]methanamine
CID 116640530
[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
CID 129448824
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
(2R)-2-(4,4-dimethoxybutyl)-1-[(1S)-1-phenylethyl]pyrrolidine
CID 14634536
2-[2-(hydroxymethyl)azepan-1-yl]-1-phenylpropan-1-one
CID 116635361
[4-(diethoxymethyl)-1-(1-phenylethyl)piperidin-2-yl]methanol
CID 22083389
1-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 140759748
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol (CID 66261742) is [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol is CC(c1ccccc1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol?
The InChIKey is FRBRVIYTVPIOCC-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(12-6-3-2-4-7-12)14-9-5-8-13(14)10-15/h2-4,6-7,11,13,15H,5,8-10H2,1H3/t11?,13-/m0/s1.
What are the key properties of [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1-phenylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66261742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).