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

C13H18FNO — CID 83823068

IUPAC3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine
SMILESCOc1ccc(C)cc1CC1(F)CCNC1
InChIInChI=1S/C13H18FNO/c1-10-3-4-12(16-2)11(7-10)8-13(14)5-6-15-9-13/h3-4,7,15H,5-6,8-9H2,1-2H3
InChIKeyNMBWPWGEHYJLLD-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.25
Rot. Bonds3

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

3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine (PubChem CID 83823068) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine
PubChem CID83823068
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine
SMILESCOc1ccc(C)cc1CC1(F)CCNC1
InChIInChI=1S/C13H18FNO/c1-10-3-4-12(16-2)11(7-10)8-13(14)5-6-15-9-13/h3-4,7,15H,5-6,8-9H2,1-2H3
InChIKeyNMBWPWGEHYJLLD-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoropyrrolidine
CID 112564422
4-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoropiperidine
CID 112563142
[3-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]methanol
CID 66060007
2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
1-[(2-methoxy-5-methylphenyl)methyl]cyclopentan-1-ol
CID 62161336
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036
3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79459973
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
3-(2-methoxy-5-methylphenyl)piperidin-3-ol
CID 63587735

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine (CID 83823068) is 3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine is COc1ccc(C)cc1CC1(F)CCNC1.
What is the InChIKey of 3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine?
The InChIKey is NMBWPWGEHYJLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-3-4-12(16-2)11(7-10)8-13(14)5-6-15-9-13/h3-4,7,15H,5-6,8-9H2,1-2H3.
What are the key properties of 3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine?
3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 83823068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).