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

C13H18FNO — CID 117320360

IUPAC2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
SMILESCOc1c(C)cc(CC2CCCN2)cc1F
InChIInChI=1S/C13H18FNO/c1-9-6-10(7-11-4-3-5-15-11)8-12(14)13(9)16-2/h6,8,11,15H,3-5,7H2,1-2H3
InChIKeyMPHJBBNEZBUBKU-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.44
Rot. Bonds3

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

2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine (PubChem CID 117320360) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
PubChem CID117320360
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
SMILESCOc1c(C)cc(CC2CCCN2)cc1F
InChIInChI=1S/C13H18FNO/c1-9-6-10(7-11-4-3-5-15-11)8-12(14)13(9)16-2/h6,8,11,15H,3-5,7H2,1-2H3
InChIKeyMPHJBBNEZBUBKU-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
CID 117386317
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
3-fluoro-2-methoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117340394
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-methoxy-3-methyl-5-(piperidin-2-ylmethyl)phenol
CID 117342833
4-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]piperidine
CID 84798690
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 117382016
2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84677033

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine (CID 117320360) is 2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine is COc1c(C)cc(CC2CCCN2)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine?
The InChIKey is MPHJBBNEZBUBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-10(7-11-4-3-5-15-11)8-12(14)13(9)16-2/h6,8,11,15H,3-5,7H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine?
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117320360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).