4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine

C11H15FN2O — CID 82612413

IUPAC4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1ccc(C2CNCC2N)cc1F
InChIInChI=1S/C11H15FN2O/c1-15-11-3-2-7(4-9(11)12)8-5-14-6-10(8)13/h2-4,8,10,14H,5-6,13H2,1H3
InChIKeyCNNJJFFXGUMOQG-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.85
Rot. Bonds2

About 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine

4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine (PubChem CID 82612413) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
PubChem CID82612413
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1ccc(C2CNCC2N)cc1F
InChIInChI=1S/C11H15FN2O/c1-15-11-3-2-7(4-9(11)12)8-5-14-6-10(8)13/h2-4,8,10,14H,5-6,13H2,1H3
InChIKeyCNNJJFFXGUMOQG-UHFFFAOYSA-N
XLogP0.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250
[4-(3,4-dimethoxyphenyl)pyrrolidin-3-yl]methanamine
CID 82621037
4-(3,5-dimethoxyphenyl)pyrrolidin-3-amine
CID 82617230
1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone
CID 82625034
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328
2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine
CID 82621572
tert-butyl (3R,4S)-3-amino-4-(3-fluoro-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 170905133
(3S,4R)-4-(2-methoxyphenyl)pyrrolidin-3-amine
CID 129407373

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine (CID 82612413) is 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine is COc1ccc(C2CNCC2N)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine?
The InChIKey is CNNJJFFXGUMOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-15-11-3-2-7(4-9(11)12)8-5-14-6-10(8)13/h2-4,8,10,14H,5-6,13H2,1H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine?
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine has a molecular weight of 210.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 82612413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).