2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol

C12H16ClNO — CID 83981447

IUPAC2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c13-11-1-3-12(4-2-11)14-7-5-10(9-14)6-8-15/h1-4,10,15H,5-9H2
InChIKeyGMALYCOQIYKDFU-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.55
Rot. Bonds3

About 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol

2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol (PubChem CID 83981447) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
PubChem CID83981447
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c13-11-1-3-12(4-2-11)14-7-5-10(9-14)6-8-15/h1-4,10,15H,5-9H2
InChIKeyGMALYCOQIYKDFU-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028465
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol (CID 83981447) is 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is GMALYCOQIYKDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-1-3-12(4-2-11)14-7-5-10(9-14)6-8-15/h1-4,10,15H,5-9H2.
What are the key properties of 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol?
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 225.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 83981447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).