2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine

C13H18FNO — CID 117320275

IUPAC2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
SMILESCOc1cccc(C2(C)CCCN2)c1CF
InChIInChI=1S/C13H18FNO/c1-13(7-4-8-15-13)11-5-3-6-12(16-2)10(11)9-14/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeyVNAGJRRQPVLAPC-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.76
Rot. Bonds3

About 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine

2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine (PubChem CID 117320275) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
PubChem CID117320275
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine
SMILESCOc1cccc(C2(C)CCCN2)c1CF
InChIInChI=1S/C13H18FNO/c1-13(7-4-8-15-13)11-5-3-6-12(16-2)10(11)9-14/h3,5-6,15H,4,7-9H2,1-2H3
InChIKeyVNAGJRRQPVLAPC-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-(3-methoxy-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117347870
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
[1-[2-(fluoromethyl)-3-methoxyphenyl]cyclopentyl]methanamine
CID 117347425
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117348893
[2-(2-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 115103415
2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine (CID 117320275) is 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine is COc1cccc(C2(C)CCCN2)c1CF.
What is the InChIKey of 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine?
The InChIKey is VNAGJRRQPVLAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(7-4-8-15-13)11-5-3-6-12(16-2)10(11)9-14/h3,5-6,15H,4,7-9H2,1-2H3.
What are the key properties of 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine?
2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-3-methoxyphenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117320275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).