1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine

C17H18FNO — CID 168514944

IUPAC1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine
SMILESCOc1ccc(-c2cccc(N3CCCC3)c2)cc1F
InChIInChI=1S/C17H18FNO/c1-20-17-8-7-14(12-16(17)18)13-5-4-6-15(11-13)19-9-2-3-10-19/h4-8,11-12H,2-3,9-10H2,1H3
InChIKeyZLZFMLPWQROQNJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.10
Rot. Bonds3

About 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine

1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine (PubChem CID 168514944) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine
PubChem CID168514944
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine
SMILESCOc1ccc(-c2cccc(N3CCCC3)c2)cc1F
InChIInChI=1S/C17H18FNO/c1-20-17-8-7-14(12-16(17)18)13-5-4-6-15(11-13)19-9-2-3-10-19/h4-8,11-12H,2-3,9-10H2,1H3
InChIKeyZLZFMLPWQROQNJ-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-fluoro-4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 168519023
1-[3-(4-chlorophenyl)phenyl]pyrrolidine
CID 168512665
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
1-[4-(3-methoxyphenyl)phenyl]pyrrolidine
CID 168512705
1-(3-methoxyphenyl)azepane
CID 57276431
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
2-methoxy-6-(3-pyrrolidin-1-ylphenyl)pyridine
CID 168513130
1-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 168512080
4-(3-pyrrolidin-1-ylphenyl)benzonitrile
CID 168513837
3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
(E)-1-(3-fluoro-4-methoxyphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 38865159
5-(3-fluoro-4-methoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930255

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine?
The IUPAC name of 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine (CID 168514944) is 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine is COc1ccc(-c2cccc(N3CCCC3)c2)cc1F.
What is the InChIKey of 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine?
The InChIKey is ZLZFMLPWQROQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-20-17-8-7-14(12-16(17)18)13-5-4-6-15(11-13)19-9-2-3-10-19/h4-8,11-12H,2-3,9-10H2,1H3.
What are the key properties of 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine?
1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine has a molecular weight of 271.34 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4-methoxyphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 168514944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).