(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine

C19H23NO3 — CID 139798871

IUPAC(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc([C@@H]2CNC[C@H]2c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H23NO3/c1-21-15-6-4-5-13(9-15)16-11-20-12-17(16)14-7-8-18(22-2)19(10-14)23-3/h4-10,16-17,20H,11-12H2,1-3H3/t16-,17-/m0/s1
InChIKeyGHAQMMYWBCALOD-IRXDYDNUSA-N
MW313.40 g/mol
LogP3.18
Rot. Bonds5

About (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine

(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine (PubChem CID 139798871) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
PubChem CID139798871
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc([C@@H]2CNC[C@H]2c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H23NO3/c1-21-15-6-4-5-13(9-15)16-11-20-12-17(16)14-7-8-18(22-2)19(10-14)23-3/h4-10,16-17,20H,11-12H2,1-3H3/t16-,17-/m0/s1
InChIKeyGHAQMMYWBCALOD-IRXDYDNUSA-N
XLogP3.18
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxyphenyl)-3-(4-methylphenyl)piperidine
CID 79432555
[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 82621037
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
CID 79430329
6-(3,4-dimethoxyphenyl)-3-azabicyclo[3.2.0]heptane
CID 19963625
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
4-(3,4-dimethoxyphenyl)-3-propyl-3a,4,5,6,7,7a-hexahydrothieno[2,3-c]pyridine
CID 177305242
methyl (3R,4R)-3-(3-methoxyphenyl)piperidine-4-carboxylate
CID 99942545
(3R,4S)-4-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 126653334
N-[[4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 46071697

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine?
The IUPAC name of (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine (CID 139798871) is (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine?
The canonical SMILES for (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine is COc1cccc([C@@H]2CNC[C@H]2c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine?
The InChIKey is GHAQMMYWBCALOD-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H23NO3/c1-21-15-6-4-5-13(9-15)16-11-20-12-17(16)14-7-8-18(22-2)19(10-14)23-3/h4-10,16-17,20H,11-12H2,1-3H3/t16-,17-/m0/s1.
What are the key properties of (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine?
(3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine has a molecular weight of 313.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 139798871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).