1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol

C13H19NO — CID 117118193

IUPAC1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
SMILESCC(O)c1ccccc1CC1CCCN1
InChIInChI=1S/C13H19NO/c1-10(15)13-7-3-2-5-11(13)9-12-6-4-8-14-12/h2-3,5,7,10,12,14-15H,4,6,8-9H2,1H3
InChIKeyXZZQHLZWGZEABP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds3

About 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol

1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol (PubChem CID 117118193) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
PubChem CID117118193
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
SMILESCC(O)c1ccccc1CC1CCCN1
InChIInChI=1S/C13H19NO/c1-10(15)13-7-3-2-5-11(13)9-12-6-4-8-14-12/h2-3,5,7,10,12,14-15H,4,6,8-9H2,1H3
InChIKeyXZZQHLZWGZEABP-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-(difluoromethyl)-6-(pyrrolidin-2-ylmethyl)phenol
CID 84691153
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
CID 117333037
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064
2-(piperidin-2-ylmethyl)aniline
CID 84662844

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol?
The IUPAC name of 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol (CID 117118193) is 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol.
What is the SMILES notation for 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol?
The canonical SMILES for 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol is CC(O)c1ccccc1CC1CCCN1.
What is the InChIKey of 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol?
The InChIKey is XZZQHLZWGZEABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15)13-7-3-2-5-11(13)9-12-6-4-8-14-12/h2-3,5,7,10,12,14-15H,4,6,8-9H2,1H3.
What are the key properties of 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol?
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol has a molecular weight of 205.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol is sourced from PubChem (CID 117118193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).