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

C13H19NO — CID 13404761

IUPAC[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCc1ccccc1
InChIInChI=1S/C13H19NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKeyGLQSEWFAGIJBQB-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.69
Rot. Bonds4

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

[1-(2-phenylethyl)pyrrolidin-2-yl]methanol (PubChem CID 13404761) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [1-(2-phenylethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
PubChem CID13404761
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCc1ccccc1
InChIInChI=1S/C13H19NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2
InChIKeyGLQSEWFAGIJBQB-UHFFFAOYSA-N
XLogP1.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
[(2S)-1-[2-(4-dodecylphenyl)ethyl]pyrrolidin-2-yl]methanol
CID 72735622
[1-[2-(4-aminophenyl)ethyl]azepan-2-yl]methanol
CID 116634212
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
CID 116637315
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 23911512
4-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 14615613
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 55038005
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-phenylethyl)pyrrolidin-2-yl]methanol (CID 13404761) is [1-(2-phenylethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-phenylethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-phenylethyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CCc1ccccc1.
What is the InChIKey of [1-(2-phenylethyl)pyrrolidin-2-yl]methanol?
The InChIKey is GLQSEWFAGIJBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c15-11-13-7-4-9-14(13)10-8-12-5-2-1-3-6-12/h1-3,5-6,13,15H,4,7-11H2.
What are the key properties of [1-(2-phenylethyl)pyrrolidin-2-yl]methanol?
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol has a molecular weight of 205.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 13404761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).