1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol

C13H18ClNO — CID 3054357

IUPAC1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol
SMILESCN1CCCC1CC(O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-15-7-3-6-12(15)9-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12-13,16H,3,6-7,9H2,1H3
InChIKeyFHVGAPRZWDAMCO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.86
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol

1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol (PubChem CID 3054357) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol
PubChem CID3054357
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol
SMILESCN1CCCC1CC(O)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-15-7-3-6-12(15)9-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12-13,16H,3,6-7,9H2,1H3
InChIKeyFHVGAPRZWDAMCO-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol (CID 3054357) is 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol is CN1CCCC1CC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol?
The InChIKey is FHVGAPRZWDAMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-15-7-3-6-12(15)9-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12-13,16H,3,6-7,9H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol?
1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol has a molecular weight of 239.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)ethanol is sourced from PubChem (CID 3054357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).