3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride

C12H18ClNO2 — CID 169498250

IUPAC3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1ccc(C2CCNC2)c(OC)c1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-10-3-4-11(12(7-10)15-2)9-5-6-13-8-9;/h3-4,7,9,13H,5-6,8H2,1-2H3;1H
InChIKeyQIYFXKVPCVKVIR-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.20
Rot. Bonds3

About 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride

3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride (PubChem CID 169498250) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
PubChem CID169498250
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1ccc(C2CCNC2)c(OC)c1.Cl
InChIInChI=1S/C12H17NO2.ClH/c1-14-10-3-4-11(12(7-10)15-2)9-5-6-13-8-9;/h3-4,7,9,13H,5-6,8H2,1-2H3;1H
InChIKeyQIYFXKVPCVKVIR-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
CID 117316343
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
(2R)-2-(2,4-dimethoxyphenyl)piperazine;hydrochloride
CID 171194245
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
3-cyclopentyl-4-(2,4-dimethoxyphenyl)piperidine
CID 115927092
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride (CID 169498250) is 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride is COc1ccc(C2CCNC2)c(OC)c1.Cl.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride?
The InChIKey is QIYFXKVPCVKVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c1-14-10-3-4-11(12(7-10)15-2)9-5-6-13-8-9;/h3-4,7,9,13H,5-6,8H2,1-2H3;1H.
What are the key properties of 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride?
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 169498250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).