3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine

C13H18FNO — CID 84789080

IUPAC3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
SMILESCOc1cc(CC2CCNC2)c(C)cc1F
InChIInChI=1S/C13H18FNO/c1-9-5-12(14)13(16-2)7-11(9)6-10-3-4-15-8-10/h5,7,10,15H,3-4,6,8H2,1-2H3
InChIKeyLLHWWACPDFHXNS-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.29
Rot. Bonds3

About 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine

3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine (PubChem CID 84789080) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
PubChem CID84789080
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
SMILESCOc1cc(CC2CCNC2)c(C)cc1F
InChIInChI=1S/C13H18FNO/c1-9-5-12(14)13(16-2)7-11(9)6-10-3-4-15-8-10/h5,7,10,15H,3-4,6,8H2,1-2H3
InChIKeyLLHWWACPDFHXNS-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluoro-5-methoxy-4-methylphenyl)methyl]piperidine
CID 84798639
5-methoxy-4-methyl-2-(pyrrolidin-3-ylmethyl)phenol
CID 84787982
3-[(2-chloro-5-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84802168
4-[[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]methyl]piperidine
CID 117422106
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
4-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 84798681
3-[(3-chloro-5-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 84802159
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
5-fluoro-2-methoxy-4-(piperidin-4-ylmethyl)phenol
CID 84799660
3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 84791339
3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine (CID 84789080) is 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine is COc1cc(CC2CCNC2)c(C)cc1F.
What is the InChIKey of 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine?
The InChIKey is LLHWWACPDFHXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-5-12(14)13(16-2)7-11(9)6-10-3-4-15-8-10/h5,7,10,15H,3-4,6,8H2,1-2H3.
What are the key properties of 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine?
3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84789080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).