(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine

C19H22FNO — CID 68927392

IUPAC(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine
SMILESCc1ccc(-c2ccc(F)cc2CO[C@H]2CCNC2)cc1C
InChIInChI=1S/C19H22FNO/c1-13-3-4-15(9-14(13)2)19-6-5-17(20)10-16(19)12-22-18-7-8-21-11-18/h3-6,9-10,18,21H,7-8,11-12H2,1-2H3/t18-/m0/s1
InChIKeyRHKMDWOBNJGCDZ-SFHVURJKSA-N
MW299.39 g/mol
LogP3.99
Rot. Bonds4

About (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine

(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine (PubChem CID 68927392) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine
PubChem CID68927392
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine
SMILESCc1ccc(-c2ccc(F)cc2CO[C@H]2CCNC2)cc1C
InChIInChI=1S/C19H22FNO/c1-13-3-4-15(9-14(13)2)19-6-5-17(20)10-16(19)12-22-18-7-8-21-11-18/h3-6,9-10,18,21H,7-8,11-12H2,1-2H3/t18-/m0/s1
InChIKeyRHKMDWOBNJGCDZ-SFHVURJKSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[[5-fluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68922885
3-[(5-fluoro-2-methylphenyl)methoxy]piperidine
CID 112694932
2-[4-fluoro-2-(pyrrolidin-3-yloxymethyl)phenyl]phenol
CID 68923382
2-[4-fluoro-2-[[(3S)-pyrrolidin-3-yl]oxymethyl]phenyl]phenol
CID 68923378
3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine
CID 68926900
3-[(2,4-difluorophenyl)methoxy]pyrrolidine
CID 56831227
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine
CID 68921724
2-(2,4-difluorophenyl)-3-(pyrrolidin-3-yloxymethyl)pyridine
CID 68927938
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine;hydrochloride
CID 68921723
(3R)-3-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidine
CID 126671210
3-[[2-(3-methoxyphenyl)phenyl]methoxy]pyrrolidine
CID 68927596
(3S)-3-[(2-fluorophenyl)methoxy]pyrrolidine
CID 66520009

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine?
The IUPAC name of (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine (CID 68927392) is (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine.
What is the SMILES notation for (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine?
The canonical SMILES for (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine is Cc1ccc(-c2ccc(F)cc2CO[C@H]2CCNC2)cc1C.
What is the InChIKey of (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine?
The InChIKey is RHKMDWOBNJGCDZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22FNO/c1-13-3-4-15(9-14(13)2)19-6-5-17(20)10-16(19)12-22-18-7-8-21-11-18/h3-6,9-10,18,21H,7-8,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine?
(3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine has a molecular weight of 299.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[2-(3,4-dimethylphenyl)-5-fluorophenyl]methoxy]pyrrolidine is sourced from PubChem (CID 68927392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).