1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol

C13H19NO — CID 117293818

IUPAC1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
SMILESCC(O)c1ccc(CC2CCCN2)cc1
InChIInChI=1S/C13H19NO/c1-10(15)12-6-4-11(5-7-12)9-13-3-2-8-14-13/h4-7,10,13-15H,2-3,8-9H2,1H3
InChIKeyQEXWEMARWHTOPG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds3

About 1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol

1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol (PubChem CID 117293818) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
PubChem CID117293818
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
SMILESCC(O)c1ccc(CC2CCCN2)cc1
InChIInChI=1S/C13H19NO/c1-10(15)12-6-4-11(5-7-12)9-13-3-2-8-14-13/h4-7,10,13-15H,2-3,8-9H2,1H3
InChIKeyQEXWEMARWHTOPG-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

2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[[4-(1,2-dimethoxyethyl)phenyl]methyl]pyrrolidine
CID 117377105
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol?
The IUPAC name of 1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol (CID 117293818) is 1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol is CC(O)c1ccc(CC2CCCN2)cc1.
What is the InChIKey of 1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol?
The InChIKey is QEXWEMARWHTOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(15)12-6-4-11(5-7-12)9-13-3-2-8-14-13/h4-7,10,13-15H,2-3,8-9H2,1H3.
What are the key properties of 1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol?
1-[4-(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-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol is sourced from PubChem (CID 117293818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).