2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine

C12H16FNO — CID 82612103

IUPAC2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)c(F)c1
InChIInChI=1S/C12H16FNO/c1-15-11-5-4-9(12(13)8-11)7-10-3-2-6-14-10/h4-5,8,10,14H,2-3,6-7H2,1H3
InChIKeyMVEPTTHVBJQRAO-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.13
Rot. Bonds3

About 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine

2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine (PubChem CID 82612103) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
PubChem CID82612103
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)c(F)c1
InChIInChI=1S/C12H16FNO/c1-15-11-5-4-9(12(13)8-11)7-10-3-2-6-14-10/h4-5,8,10,14H,2-3,6-7H2,1H3
InChIKeyMVEPTTHVBJQRAO-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-fluoro-4-methoxyphenyl)methyl]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

2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine
CID 117435551
1-[4-methoxy-2-(pyrrolidin-2-ylmethyl)phenyl]pyrrolidine
CID 117405725
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
2-[(2,4-difluoro-3-methoxyphenyl)methyl]piperidine
CID 117355168
2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607793
2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84677033
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-pyrrolidin-2-ylpiperidine
CID 102877734
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-[(6-fluoro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117319529
2-[(2-fluoro-4-methyl-5-methylsulfanylphenyl)methyl]pyrrolidine
CID 117351620
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine (CID 82612103) is 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine is COc1ccc(CC2CCCN2)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is MVEPTTHVBJQRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-11-5-4-9(12(13)8-11)7-10-3-2-6-14-10/h4-5,8,10,14H,2-3,6-7H2,1H3.
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine?
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 209.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 82612103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).