(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine

C17H25NO3 — CID 95135764

IUPAC(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine
SMILESCOc1ccc(OC)c([C@H]2CCN(C3CCOCC3)C2)c1
InChIInChI=1S/C17H25NO3/c1-19-15-3-4-17(20-2)16(11-15)13-5-8-18(12-13)14-6-9-21-10-7-14/h3-4,11,13-14H,5-10,12H2,1-2H3/t13-/m0/s1
InChIKeyNIPCJJQCNQRGOI-ZDUSSCGKSA-N
MW291.39 g/mol
LogP2.67
Rot. Bonds4

About (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine

(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine (PubChem CID 95135764) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine
PubChem CID95135764
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine
SMILESCOc1ccc(OC)c([C@H]2CCN(C3CCOCC3)C2)c1
InChIInChI=1S/C17H25NO3/c1-19-15-3-4-17(20-2)16(11-15)13-5-8-18(12-13)14-6-9-21-10-7-14/h3-4,11,13-14H,5-10,12H2,1-2H3/t13-/m0/s1
InChIKeyNIPCJJQCNQRGOI-ZDUSSCGKSA-N
XLogP2.67
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-[2-methoxy-5-(4-methylsulfanylphenyl)phenyl]-1-(oxan-4-yl)piperidine
CID 143235233
(3S)-3-(2,5-dimethoxyphenyl)-1-[(E)-2-methylbut-2-enyl]pyrrolidine
CID 95134904
1-[(1S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 58772326
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole
CID 50953533
2-[[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 95129075
1-[(1S,6S)-2-bicyclo[4.2.1]nonanyl]-4-(2,5-dimethoxyphenyl)piperidine
CID 70795090
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135101627
4-chloro-1-[2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]pyrazole
CID 135110123
4-(5-chloro-2-methoxyphenyl)-1-(oxan-4-ylmethyl)piperidine
CID 58771940
2-(2,5-dimethoxyphenyl)oxan-3-amine
CID 79364595

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine?
The IUPAC name of (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine (CID 95135764) is (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine.
What is the SMILES notation for (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine?
The canonical SMILES for (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine is COc1ccc(OC)c([C@H]2CCN(C3CCOCC3)C2)c1.
What is the InChIKey of (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine?
The InChIKey is NIPCJJQCNQRGOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-15-3-4-17(20-2)16(11-15)13-5-8-18(12-13)14-6-9-21-10-7-14/h3-4,11,13-14H,5-10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine?
(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine has a molecular weight of 291.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine is sourced from PubChem (CID 95135764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).