3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine

C15H21F2NO — CID 116840215

IUPAC3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine
SMILESCCOc1ccc(C(F)(F)CC2CCNC2)cc1C
InChIInChI=1S/C15H21F2NO/c1-3-19-14-5-4-13(8-11(14)2)15(16,17)9-12-6-7-18-10-12/h4-5,8,12,18H,3,6-7,9-10H2,1-2H3
InChIKeyUUHUHGGUMPTUGN-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.49
Rot. Bonds5

About 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine

3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine (PubChem CID 116840215) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine
PubChem CID116840215
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine
SMILESCCOc1ccc(C(F)(F)CC2CCNC2)cc1C
InChIInChI=1S/C15H21F2NO/c1-3-19-14-5-4-13(8-11(14)2)15(16,17)9-12-6-7-18-10-12/h4-5,8,12,18H,3,6-7,9-10H2,1-2H3
InChIKeyUUHUHGGUMPTUGN-UHFFFAOYSA-N
XLogP3.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]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

3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116840190
4-[2-(3,4-dimethylphenyl)-2,2-difluoroethyl]piperidine
CID 116840354
3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
CID 116840188
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]pyrrolidine
CID 116840192
(3S)-3-[(4-iodo-2-methylphenoxy)methyl]pyrrolidine;hydrochloride
CID 166175538
5-(1,1-difluoro-2-pyrrolidin-3-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116840235
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135
4-(4-ethoxy-3-methylphenyl)-4,4-difluorobutanoic acid
CID 116838445
3-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 115512109
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620346
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023
(3S)-3-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]pyrrolidine
CID 86320384

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine?
The IUPAC name of 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine (CID 116840215) is 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine.
What is the SMILES notation for 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine?
The canonical SMILES for 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine is CCOc1ccc(C(F)(F)CC2CCNC2)cc1C.
What is the InChIKey of 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine?
The InChIKey is UUHUHGGUMPTUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-19-14-5-4-13(8-11(14)2)15(16,17)9-12-6-7-18-10-12/h4-5,8,12,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine?
3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine has a molecular weight of 269.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine is sourced from PubChem (CID 116840215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).