(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride

C12H18ClNO3 — CID 129319949

IUPAC(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
SMILESCOc1ccc(O[C@@H]2CCNC2)cc1OC.Cl
InChIInChI=1S/C12H17NO3.ClH/c1-14-11-4-3-9(7-12(11)15-2)16-10-5-6-13-8-10;/h3-4,7,10,13H,5-6,8H2,1-2H3;1H/t10-;/m1./s1
InChIKeyRFWFEALALUHTFM-HNCPQSOCSA-N
MW259.73 g/mol
LogP1.87
Rot. Bonds4

About (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride

(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride (PubChem CID 129319949) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
PubChem CID129319949
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC Name(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
SMILESCOc1ccc(O[C@@H]2CCNC2)cc1OC.Cl
InChIInChI=1S/C12H17NO3.ClH/c1-14-11-4-3-9(7-12(11)15-2)16-10-5-6-13-8-10;/h3-4,7,10,13H,5-6,8H2,1-2H3;1H/t10-;/m1./s1
InChIKeyRFWFEALALUHTFM-HNCPQSOCSA-N
XLogP1.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 141190675
3-(5-methoxy-2-methylphenoxy)pyrrolidine
CID 84675320
3-(2-chloro-5-methoxyphenoxy)pyrrolidine
CID 84691503
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
3-(3,5-dimethylphenoxy)pyrrolidine;hydrochloride
CID 46735722
3-(4-methylphenoxy)pyrrolidine
CID 18337173
(3S)-3-(3-bromo-4-fluorophenoxy)pyrrolidine
CID 83234121
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride?
The IUPAC name of (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride (CID 129319949) is (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride?
The canonical SMILES for (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride is COc1ccc(O[C@@H]2CCNC2)cc1OC.Cl.
What is the InChIKey of (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride?
The InChIKey is RFWFEALALUHTFM-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H17NO3.ClH/c1-14-11-4-3-9(7-12(11)15-2)16-10-5-6-13-8-10;/h3-4,7,10,13H,5-6,8H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride?
(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride has a molecular weight of 259.73 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 129319949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).