1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol

C11H15FN2O2 — CID 107259191

IUPAC1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cc(N2CCC(O)C2)c(F)cc1N
InChIInChI=1S/C11H15FN2O2/c1-16-11-5-10(8(12)4-9(11)13)14-3-2-7(15)6-14/h4-5,7,15H,2-3,6,13H2,1H3
InChIKeyAIUUOJXGWGFXSZ-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.99
Rot. Bonds2

About 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol

1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol (PubChem CID 107259191) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
PubChem CID107259191
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
SMILESCOc1cc(N2CCC(O)C2)c(F)cc1N
InChIInChI=1S/C11H15FN2O2/c1-16-11-5-10(8(12)4-9(11)13)14-3-2-7(15)6-14/h4-5,7,15H,2-3,6,13H2,1H3
InChIKeyAIUUOJXGWGFXSZ-UHFFFAOYSA-N
XLogP0.99
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
methyl 2-amino-4-fluoro-5-(3-hydroxypyrrolidin-1-yl)benzoate
CID 55132720
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
5-fluoro-2-methoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236644
4-(3,4-dimethylpiperazin-1-yl)-5-fluoro-2-methoxyaniline
CID 107259252
5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
CID 107259136
2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide
CID 107259017
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 129411689
(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
CID 67215346
5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955599
5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline
CID 107259299

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol (CID 107259191) is 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol is COc1cc(N2CCC(O)C2)c(F)cc1N.
What is the InChIKey of 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol?
The InChIKey is AIUUOJXGWGFXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-16-11-5-10(8(12)4-9(11)13)14-3-2-7(15)6-14/h4-5,7,15H,2-3,6,13H2,1H3.
What are the key properties of 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol?
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol has a molecular weight of 226.25 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 107259191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).