4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine

C12H17FN2O — CID 82391825

IUPAC4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
SMILESCOc1ccc(C2CN(C)CC2N)cc1F
InChIInChI=1S/C12H17FN2O/c1-15-6-9(11(14)7-15)8-3-4-12(16-2)10(13)5-8/h3-5,9,11H,6-7,14H2,1-2H3
InChIKeyGIQXZMPOXHFYGR-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.19
Rot. Bonds2

About 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine

4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine (PubChem CID 82391825) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
PubChem CID82391825
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
SMILESCOc1ccc(C2CN(C)CC2N)cc1F
InChIInChI=1S/C12H17FN2O/c1-15-6-9(11(14)7-15)8-3-4-12(16-2)10(13)5-8/h3-5,9,11H,6-7,14H2,1-2H3
InChIKeyGIQXZMPOXHFYGR-UHFFFAOYSA-N
XLogP1.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine 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-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
tert-butyl (3R,4S)-3-amino-4-(3-fluoro-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 170905133
4-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-amine
CID 82612413
1-[4-amino-3-(3-fluoro-4-methoxyphenyl)piperidin-1-yl]ethanone
CID 82625034
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 96623121
(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124669561
(3R,4S)-3-(4-ethoxy-3-methoxyphenyl)-1-methylpiperidin-4-amine
CID 70021225
tert-butyl (3S,4R)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate
CID 95566620
4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82395877
(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine (CID 82391825) is 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine is COc1ccc(C2CN(C)CC2N)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine?
The InChIKey is GIQXZMPOXHFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-15-6-9(11(14)7-15)8-3-4-12(16-2)10(13)5-8/h3-5,9,11H,6-7,14H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine?
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine has a molecular weight of 224.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 82391825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).