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

C13H19NO — CID 129411572

IUPAC(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine
SMILESCOc1ccccc1[C@@H]1CNCC1(C)C
InChIInChI=1S/C13H19NO/c1-13(2)9-14-8-11(13)10-6-4-5-7-12(10)15-3/h4-7,11,14H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyAUMHWMOIDAXEOV-NSHDSACASA-N
MW205.30 g/mol
LogP2.41
Rot. Bonds2

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

(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine (PubChem CID 129411572) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine
PubChem CID129411572
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine
SMILESCOc1ccccc1[C@@H]1CNCC1(C)C
InChIInChI=1S/C13H19NO/c1-13(2)9-14-8-11(13)10-6-4-5-7-12(10)15-3/h4-7,11,14H,8-9H2,1-3H3/t11-/m0/s1
InChIKeyAUMHWMOIDAXEOV-NSHDSACASA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
CID 124671045
6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817894
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376
(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
CID 129407373
2-(2-methoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82112973
2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103852
4-(2-methoxyphenyl)piperidine
CID 544738
1-methoxy-2-[(1S,2S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]benzene
CID 134968527
7-(2-methoxyphenyl)-4-azaspiro[2.4]heptane
CID 105455554
methyl (3R,4R)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylate
CID 51441231
2-cyclopropyl-6-(2-methoxyphenyl)morpholine
CID 63297411
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine?
The IUPAC name of (4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine (CID 129411572) is (4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine.
What is the SMILES notation for (4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine?
The canonical SMILES for (4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine is COc1ccccc1[C@@H]1CNCC1(C)C.
What is the InChIKey of (4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine?
The InChIKey is AUMHWMOIDAXEOV-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2)9-14-8-11(13)10-6-4-5-7-12(10)15-3/h4-7,11,14H,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine?
(4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxyphenyl)-3,3-dimethylpyrrolidine is sourced from PubChem (CID 129411572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).