(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine

C12H17NO — CID 95240960

IUPAC(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1ccc([C@@H]2CN[C@H](C)C2)cc1
InChIInChI=1S/C12H17NO/c1-9-7-11(8-13-9)10-3-5-12(14-2)6-4-10/h3-6,9,11,13H,7-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyQVGZCXWSVLIGDZ-KOLCDFICSA-N
MW191.27 g/mol
LogP2.16
Rot. Bonds2

About (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine

(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 95240960) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
PubChem CID95240960
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1ccc([C@@H]2CN[C@H](C)C2)cc1
InChIInChI=1S/C12H17NO/c1-9-7-11(8-13-9)10-3-5-12(14-2)6-4-10/h3-6,9,11,13H,7-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyQVGZCXWSVLIGDZ-KOLCDFICSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
CID 95365874
5-(4-methoxyphenyl)piperidin-3-ol
CID 142686549
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
(2S)-2-(4-methoxyphenyl)azetidine
CID 55278634
4-(4-methoxyphenyl)-1,2-oxazolidine
CID 105438001
1-methoxy-4-(4-methylcyclohexyl)benzene;hydrate
CID 144745908
3-(4-methoxyphenyl)piperidine
CID 12937920
4-(4-methoxyphenyl)-2-methyloxolane
CID 173252493
methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid
CID 159331241
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine (CID 95240960) is (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine is COc1ccc([C@@H]2CN[C@H](C)C2)cc1.
What is the InChIKey of (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is QVGZCXWSVLIGDZ-KOLCDFICSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-7-11(8-13-9)10-3-5-12(14-2)6-4-10/h3-6,9,11,13H,7-8H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine?
(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 95240960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).