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

C12H17NO — CID 58606780

IUPAC(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine
SMILESCOc1ccc(C2CNC[C@H]2C)cc1
InChIInChI=1S/C12H17NO/c1-9-7-13-8-12(9)10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t9-,12?/m1/s1
InChIKeyGZPRGMVOOWZOTQ-PKEIRNPWSA-N
MW191.27 g/mol
LogP2.02
Rot. Bonds2

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

(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine (PubChem CID 58606780) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine
PubChem CID58606780
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine
SMILESCOc1ccc(C2CNC[C@H]2C)cc1
InChIInChI=1S/C12H17NO/c1-9-7-13-8-12(9)10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t9-,12?/m1/s1
InChIKeyGZPRGMVOOWZOTQ-PKEIRNPWSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-(4-fluorophenyl)-4-methylpyrrolidine
CID 58606790
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
(3S,4S)-3-ethyl-4-(4-methoxyphenyl)pyrrolidine
CID 124705549
3-(4-fluorophenyl)-4-(4-methoxyphenyl)piperidine
CID 79433103
tert-butyl N-[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]carbamate
CID 95240515
1-[[(3R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 143833939
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825230
(3S,4S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine
CID 150912606
4-methyl-3-(4-propoxyphenyl)piperidine
CID 66274020
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
(6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane
CID 53237594

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine?
The IUPAC name of (4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine (CID 58606780) is (4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine.
What is the SMILES notation for (4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine?
The canonical SMILES for (4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine is COc1ccc(C2CNC[C@H]2C)cc1.
What is the InChIKey of (4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine?
The InChIKey is GZPRGMVOOWZOTQ-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-7-13-8-12(9)10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3/t9-,12?/m1/s1.
What are the key properties of (4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine?
(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine is sourced from PubChem (CID 58606780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).