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

C13H18ClNO — CID 117028465

IUPAC2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(Cl)ccc1N1CCC(CCO)C1
InChIInChI=1S/C13H18ClNO/c1-10-8-12(14)2-3-13(10)15-6-4-11(9-15)5-7-16/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyFDGPRCUJPVSTTA-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.86
Rot. Bonds3

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

2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol (PubChem CID 117028465) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol
PubChem CID117028465
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1cc(Cl)ccc1N1CCC(CCO)C1
InChIInChI=1S/C13H18ClNO/c1-10-8-12(14)2-3-13(10)15-6-4-11(9-15)5-7-16/h2-3,8,11,16H,4-7,9H2,1H3
InChIKeyFDGPRCUJPVSTTA-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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Related Compounds

N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
2-[1-(2-methyl-4-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 113248015
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511752
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
3-[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002604
2-[1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]pyrrolidin-3-yl]ethanol
CID 114798673
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
2-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 62358135
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114853511
2-[1-(4-methyl-2-nitrophenyl)pyrrolidin-3-yl]ethanol
CID 71865356
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol (CID 117028465) is 2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol is Cc1cc(Cl)ccc1N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is FDGPRCUJPVSTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-8-12(14)2-3-13(10)15-6-4-11(9-15)5-7-16/h2-3,8,11,16H,4-7,9H2,1H3.
What are the key properties of 2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol?
2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-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 2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 117028465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).