3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride

C11H15Cl2NO — CID 3051549

IUPAC3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1NCCC1(O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C11H14ClNO.ClH/c1-8-11(14,5-6-13-8)9-3-2-4-10(12)7-9;/h2-4,7-8,13-14H,5-6H2,1H3;1H
InChIKeyIRJGVMDQSVUSIJ-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.33
Rot. Bonds1

About 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride

3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051549) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride
PubChem CID3051549
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride
SMILESCC1NCCC1(O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C11H14ClNO.ClH/c1-8-11(14,5-6-13-8)9-3-2-4-10(12)7-9;/h2-4,7-8,13-14H,5-6H2,1H3;1H
InChIKeyIRJGVMDQSVUSIJ-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Chlorophenyl)-4-hydroxypiperidine
CID 38282
Dichloroisoproterenol
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Clorprenaline
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3-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 200556
Benzenemethanol, 2-chloro-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride (1:1)
CID 23360
rel-(alphaR)-3-Chloro-alpha-((1R)-1-((1,1-dimethylethyl)amino)ethyl)benzenemethanol
CID 9834682
2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 445
(1R,2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol
CID 9943534
3-Phenylpyrrolidin-3-ol hydrochloride
CID 200280
Clorprenaline Hydrochloride
CID 21784
1-(3-Chlorophenyl)-2-(isopropylamino)ethanol
CID 19913640

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride (CID 3051549) is 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride is CC1NCCC1(O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is IRJGVMDQSVUSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c1-8-11(14,5-6-13-8)9-3-2-4-10(12)7-9;/h2-4,7-8,13-14H,5-6H2,1H3;1H.
What are the key properties of 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).