2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine

C13H19NO — CID 83638655

IUPAC2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
SMILESCOc1cccc(C2CC(C)(C)CN2)c1
InChIInChI=1S/C13H19NO/c1-13(2)8-12(14-9-13)10-5-4-6-11(7-10)15-3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyMALAYEOUBGKQOE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.76
Rot. Bonds2

About 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine

2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine (PubChem CID 83638655) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
PubChem CID83638655
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
SMILESCOc1cccc(C2CC(C)(C)CN2)c1
InChIInChI=1S/C13H19NO/c1-13(2)8-12(14-9-13)10-5-4-6-11(7-10)15-3/h4-7,12,14H,8-9H2,1-3H3
InChIKeyMALAYEOUBGKQOE-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine
CID 84725237
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
CID 112513040
(3R)-3-(3-methoxyphenyl)thiomorpholine
CID 51401832
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one
CID 124560423
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
7-(3-methoxyphenyl)azepan-2-one
CID 12665502
2-(3-methoxyphenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117534

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine?
The IUPAC name of 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine (CID 83638655) is 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine?
The canonical SMILES for 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine is COc1cccc(C2CC(C)(C)CN2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine?
The InChIKey is MALAYEOUBGKQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)8-12(14-9-13)10-5-4-6-11(7-10)15-3/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine?
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine is sourced from PubChem (CID 83638655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).