2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol

C13H19NO — CID 84778677

IUPAC2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
SMILESCN1CCC(c2ccc(CCO)cc2)C1
InChIInChI=1S/C13H19NO/c1-14-8-6-13(10-14)12-4-2-11(3-5-12)7-9-15/h2-5,13,15H,6-10H2,1H3
InChIKeyNAHSYJDWABCIHO-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.64
Rot. Bonds3

About 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol

2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol (PubChem CID 84778677) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
PubChem CID84778677
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol
SMILESCN1CCC(c2ccc(CCO)cc2)C1
InChIInChI=1S/C13H19NO/c1-14-8-6-13(10-14)12-4-2-11(3-5-12)7-9-15/h2-5,13,15H,6-10H2,1H3
InChIKeyNAHSYJDWABCIHO-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 84786356
4-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-2-amine
CID 116988351
[4-(1-methylpiperidin-3-yl)phenyl]methanol
CID 58393220
[4-(1-methylpiperidin-4-yl)phenyl]methanol
CID 58229057
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
N-[[4-(1-methylpiperidin-3-yl)phenyl]methyl]ethanamine
CID 116988181
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
4-[4-(1-methylpiperidin-4-yl)phenyl]butanoic acid
CID 117408104
2-[3-(1-methylazepan-4-yl)phenyl]ethanol
CID 117339022
2-[3-(1-methylpyrrolidin-3-yl)phenoxy]ethanol
CID 115032728
2-[4-(1-methylpyrrolidin-3-yl)phenyl]butan-1-amine
CID 116988406
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol?
The IUPAC name of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol (CID 84778677) is 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol.
What is the SMILES notation for 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol?
The canonical SMILES for 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol is CN1CCC(c2ccc(CCO)cc2)C1.
What is the InChIKey of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol?
The InChIKey is NAHSYJDWABCIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-8-6-13(10-14)12-4-2-11(3-5-12)7-9-15/h2-5,13,15H,6-10H2,1H3.
What are the key properties of 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol?
2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol has a molecular weight of 205.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrrolidin-3-yl)phenyl]ethanol is sourced from PubChem (CID 84778677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).