1-(3-methoxy-5-methylphenyl)pyrrolidine

C12H17NO — CID 89202554

IUPAC1-(3-methoxy-5-methylphenyl)pyrrolidine
SMILESCOc1cc(C)cc(N2CCCC2)c1
InChIInChI=1S/C12H17NO/c1-10-7-11(9-12(8-10)14-2)13-5-3-4-6-13/h7-9H,3-6H2,1-2H3
InChIKeyIRCYLWNIBCETNP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.60
Rot. Bonds2

About 1-(3-methoxy-5-methylphenyl)pyrrolidine

1-(3-methoxy-5-methylphenyl)pyrrolidine (PubChem CID 89202554) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(3-methoxy-5-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methoxy-5-methylphenyl)pyrrolidine
PubChem CID89202554
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(3-methoxy-5-methylphenyl)pyrrolidine
SMILESCOc1cc(C)cc(N2CCCC2)c1
InChIInChI=1S/C12H17NO/c1-10-7-11(9-12(8-10)14-2)13-5-3-4-6-13/h7-9H,3-6H2,1-2H3
InChIKeyIRCYLWNIBCETNP-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-5-methoxyaniline
CID 80725876
3-methoxy-5-pyrrolidin-1-ylbenzoic acid
CID 156591947
1-(4-methoxyphenyl)piperidine
CID 10130315
1-(3-methoxyphenyl)azepane
CID 57276431
2-(4-methoxyphenyl)-8,14-bis(4-methylphenyl)-5,11,17-tripyrrolidin-1-yl-2,8,14,19,20,21-hexazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3,5,7(21),9,11,13(20),15(19),16-nonaene
CID 102311849
1-(3-bromo-5-methylphenyl)pyrrolidine
CID 53216985
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047
N,3-dimethyl-5-pyrrolidin-1-ylaniline
CID 69340936
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5-methylphenyl)pyrrolidine?
The IUPAC name of 1-(3-methoxy-5-methylphenyl)pyrrolidine (CID 89202554) is 1-(3-methoxy-5-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-methoxy-5-methylphenyl)pyrrolidine?
The canonical SMILES for 1-(3-methoxy-5-methylphenyl)pyrrolidine is COc1cc(C)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3-methoxy-5-methylphenyl)pyrrolidine?
The InChIKey is IRCYLWNIBCETNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-7-11(9-12(8-10)14-2)13-5-3-4-6-13/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(3-methoxy-5-methylphenyl)pyrrolidine?
1-(3-methoxy-5-methylphenyl)pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5-methylphenyl)pyrrolidine is sourced from PubChem (CID 89202554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).