3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride

C11H15Cl2NO — CID 71757733

IUPAC3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(Cc2cccc(Cl)c2)CCNC1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-9(6-10)7-11(14)4-5-13-8-11;/h1-3,6,13-14H,4-5,7-8H2;1H
InChIKeyKQMZIIUTPQWUHU-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.03
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride

3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 71757733) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID71757733
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1(Cc2cccc(Cl)c2)CCNC1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-9(6-10)7-11(14)4-5-13-8-11;/h1-3,6,13-14H,4-5,7-8H2;1H
InChIKeyKQMZIIUTPQWUHU-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyrrolidinol, 3-(o-chlorophenyl)-, hydrochloride
CID 3051543
3-(4-Chlorophenyl)pyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051545
3-(3-Chlorophenyl)-2-methylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051549
3-Pyrrolidinol, 3-(p-chlorophenyl)-2-methyl-, hydrochloride
CID 3051553
3-(4-Chlorophenyl)-5-methylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051555
3-(3,4-Dichlorophenyl)pyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051563
3-(3,4-Dichlorophenyl)-2-methylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051565
3-(4-Chlorophenyl)-5-(cyclohex-3-en-1-yl)pyrrolidin-3-ol--hydrogen chloride (1/1)
CID 199822
Phenethyl alcohol, m-chloro-alpha-((isopropylamino)methyl)-, hydrochloride
CID 211302
3-Pyrrolidinol, 3-(p-chlorobenzyl)-, hydrochloride
CID 3051531
3-Pyrrolidinol, 3-(4-chlorophenyl)-2,5-dimethyl-, hydrochloride (1:1)
CID 3051533
3-(4-Chlorophenyl)-2-ethylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051535

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride (CID 71757733) is 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1(Cc2cccc(Cl)c2)CCNC1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is KQMZIIUTPQWUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-9(6-10)7-11(14)4-5-13-8-11;/h1-3,6,13-14H,4-5,7-8H2;1H.
What are the key properties of 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride?
3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 71757733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).