3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride

C13H20ClNO — CID 169498562

IUPAC3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
SMILESCOc1c(C)cc(C2CCNC2)cc1C.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-6-12(11-4-5-14-8-11)7-10(2)13(9)15-3;/h6-7,11,14H,4-5,8H2,1-3H3;1H
InChIKeyVDTJOMCVVCIQPY-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.81
Rot. Bonds2

About 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride

3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride (PubChem CID 169498562) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
PubChem CID169498562
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
SMILESCOc1c(C)cc(C2CCNC2)cc1C.Cl
InChIInChI=1S/C13H19NO.ClH/c1-9-6-12(11-4-5-14-8-11)7-10(2)13(9)15-3;/h6-7,11,14H,4-5,8H2,1-3H3;1H
InChIKeyVDTJOMCVVCIQPY-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
(2S)-2-(4-methoxy-3,5-dimethylphenyl)azetidine;hydrochloride
CID 171196939
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 117457157
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
3-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 117430881
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
CID 117320080
N-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 115118890

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride (CID 169498562) is 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride is COc1c(C)cc(C2CCNC2)cc1C.Cl.
What is the InChIKey of 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride?
The InChIKey is VDTJOMCVVCIQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.ClH/c1-9-6-12(11-4-5-14-8-11)7-10(2)13(9)15-3;/h6-7,11,14H,4-5,8H2,1-3H3;1H.
What are the key properties of 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride?
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride has a molecular weight of 241.76 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 169498562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).