2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine

C12H16FNO — CID 84677033

IUPAC2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(F)cc(CC2CCCN2)c1
InChIInChI=1S/C12H16FNO/c1-15-12-7-9(5-10(13)8-12)6-11-3-2-4-14-11/h5,7-8,11,14H,2-4,6H2,1H3
InChIKeyKIOBOESGHYNVKZ-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.13
Rot. Bonds3

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

2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine (PubChem CID 84677033) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
PubChem CID84677033
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1cc(F)cc(CC2CCCN2)c1
InChIInChI=1S/C12H16FNO/c1-15-12-7-9(5-10(13)8-12)6-11-3-2-4-14-11/h5,7-8,11,14H,2-4,6H2,1H3
InChIKeyKIOBOESGHYNVKZ-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

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Related Compounds

2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
CID 81148091
1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411127
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360
3-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84780627
3-fluoro-5-methoxy-N-(piperidin-2-ylmethyl)aniline
CID 114262758
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
3-fluoro-2-methoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117340394
2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 117382016

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine (CID 84677033) is 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine is COc1cc(F)cc(CC2CCCN2)c1.
What is the InChIKey of 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is KIOBOESGHYNVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-12-7-9(5-10(13)8-12)6-11-3-2-4-14-11/h5,7-8,11,14H,2-4,6H2,1H3.
What are the key properties of 2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine?
2-[(3-fluoro-5-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-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84677033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).