3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine

C18H19ClFNO — CID 76807736

IUPAC3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine
SMILESCc1ccc(F)c(OC(c2ccccc2)C2CCNC2)c1Cl
InChIInChI=1S/C18H19ClFNO/c1-12-7-8-15(20)18(16(12)19)22-17(14-9-10-21-11-14)13-5-3-2-4-6-13/h2-8,14,17,21H,9-11H2,1H3
InChIKeyGMQZKMJHEVALSS-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.52
Rot. Bonds4

About 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine

3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine (PubChem CID 76807736) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine
PubChem CID76807736
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine
SMILESCc1ccc(F)c(OC(c2ccccc2)C2CCNC2)c1Cl
InChIInChI=1S/C18H19ClFNO/c1-12-7-8-15(20)18(16(12)19)22-17(14-9-10-21-11-14)13-5-3-2-4-6-13/h2-8,14,17,21H,9-11H2,1H3
InChIKeyGMQZKMJHEVALSS-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]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-[(2-chloro-6-fluoro-3-methylphenoxy)-cyclopropylmethyl]pyrrolidine
CID 66892439
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
(3S)-3-[phenyl-(2,4,6-trifluorophenoxy)methyl]pyrrolidine
CID 66924710
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 59544002
2,4-dichloro-3,5-difluoro-6-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 87135446
(3R)-3-[(S)-phenyl-(2,3,5-trichlorophenoxy)methyl]pyrrolidine
CID 71562715
3,5-dichloro-2,4-difluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752545
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
2-fluoro-6-[(S)-phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752580
3-[(S)-(4-chloro-2,6-difluorophenoxy)-pyrrolidin-3-ylmethyl]pyridine
CID 66752357
3-[(1S)-1-(2-chloro-3,6-difluorophenoxy)propyl]pyrrolidine
CID 66891700

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine?
The IUPAC name of 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine (CID 76807736) is 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine.
What is the SMILES notation for 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine?
The canonical SMILES for 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine is Cc1ccc(F)c(OC(c2ccccc2)C2CCNC2)c1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine?
The InChIKey is GMQZKMJHEVALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c1-12-7-8-15(20)18(16(12)19)22-17(14-9-10-21-11-14)13-5-3-2-4-6-13/h2-8,14,17,21H,9-11H2,1H3.
What are the key properties of 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine?
3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine has a molecular weight of 319.81 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluoro-3-methylphenoxy)-phenylmethyl]pyrrolidine is sourced from PubChem (CID 76807736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).