(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine

C12H17NO — CID 82403223

IUPAC(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
SMILESCOc1cccc([C@@H]2C[C@H](C)CN2)c1
InChIInChI=1S/C12H17NO/c1-9-6-12(13-8-9)10-4-3-5-11(7-10)14-2/h3-5,7,9,12-13H,6,8H2,1-2H3/t9-,12-/m0/s1
InChIKeyQOAKBLCGJMYVEY-CABZTGNLSA-N
MW191.27 g/mol
LogP2.37
Rot. Bonds2

About (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine

(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine (PubChem CID 82403223) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
PubChem CID82403223
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
SMILESCOc1cccc([C@@H]2C[C@H](C)CN2)c1
InChIInChI=1S/C12H17NO/c1-9-6-12(13-8-9)10-4-3-5-11(7-10)14-2/h3-5,7,9,12-13H,6,8H2,1-2H3/t9-,12-/m0/s1
InChIKeyQOAKBLCGJMYVEY-CABZTGNLSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
(2R,4R)-4-methyl-2-phenylpyrrolidine
CID 101063094
2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane
CID 117227039
ethane;4-methyl-2-phenylpyrrolidine
CID 142973679
2-(3-methoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82281613
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine
CID 96625235
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
(3R)-3-(3-methoxyphenyl)thiomorpholine
CID 51401832
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334
6-(3-methoxyphenyl)-4,8-dimethyl-2-azabicyclo[3.3.1]nonane
CID 70571387
(2S)-2-(3-methoxyphenyl)-5-methylmorpholine
CID 134607229

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine?
The IUPAC name of (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine (CID 82403223) is (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine.
What is the SMILES notation for (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine?
The canonical SMILES for (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine is COc1cccc([C@@H]2C[C@H](C)CN2)c1.
What is the InChIKey of (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine?
The InChIKey is QOAKBLCGJMYVEY-CABZTGNLSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-6-12(13-8-9)10-4-3-5-11(7-10)14-2/h3-5,7,9,12-13H,6,8H2,1-2H3/t9-,12-/m0/s1.
What are the key properties of (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine?
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine is sourced from PubChem (CID 82403223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).