(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine

C12H17NO — CID 92850085

IUPAC(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
SMILESCOc1ccc([C@@H]2CCCN2C)cc1
InChIInChI=1S/C12H17NO/c1-13-9-3-4-12(13)10-5-7-11(14-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m0/s1
InChIKeySDEOOZDCHZPZSN-LBPRGKRZSA-N
MW191.27 g/mol
LogP2.46
Rot. Bonds2

About (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine

(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine (PubChem CID 92850085) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
PubChem CID92850085
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine
SMILESCOc1ccc([C@@H]2CCCN2C)cc1
InChIInChI=1S/C12H17NO/c1-13-9-3-4-12(13)10-5-7-11(14-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m0/s1
InChIKeySDEOOZDCHZPZSN-LBPRGKRZSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-methoxyphenoxy)phenyl]-1-methylpyrrolidine
CID 54238454
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
2-(4-butoxyphenyl)-1-methylpyrrolidine;methane
CID 159295840
(2R)-2-(4-methoxyphenyl)-1-phenylpyrrolidine
CID 134967090
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
(2R)-1-methyl-2-(4-propan-2-ylphenyl)pyrrolidine
CID 134254909
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 90608952
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine (CID 92850085) is (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine is COc1ccc([C@@H]2CCCN2C)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine?
The InChIKey is SDEOOZDCHZPZSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-9-3-4-12(13)10-5-7-11(14-2)8-6-10/h5-8,12H,3-4,9H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine?
(2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-1-methylpyrrolidine is sourced from PubChem (CID 92850085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).