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

C12H18ClNO2 — CID 3051387

IUPAC3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride
SMILESCOc1ccccc1C1(O)CCNC1C.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-9-12(14,7-8-13-9)10-5-3-4-6-11(10)15-2;/h3-6,9,13-14H,7-8H2,1-2H3;1H
InChIKeyABJVGECMSHPTFO-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.69
Rot. Bonds2

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

3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride (PubChem CID 3051387) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride
PubChem CID3051387
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride
SMILESCOc1ccccc1C1(O)CCNC1C.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-9-12(14,7-8-13-9)10-5-3-4-6-11(10)15-2;/h3-6,9,13-14H,7-8H2,1-2H3;1H
InChIKeyABJVGECMSHPTFO-UHFFFAOYSA-N
XLogP1.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
The IUPAC name of 3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride (CID 3051387) is 3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride is COc1ccccc1C1(O)CCNC1C.Cl.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
The InChIKey is ABJVGECMSHPTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-9-12(14,7-8-13-9)10-5-3-4-6-11(10)15-2;/h3-6,9,13-14H,7-8H2,1-2H3;1H.
What are the key properties of 3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride?
3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methylpyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 3051387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).