1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol

C14H21FN2O2 — CID 103355179

IUPAC1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol
SMILESCC(C)Oc1cc(N2CCC(C)(O)C2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9(2)19-13-7-12(11(16)6-10(13)15)17-5-4-14(3,18)8-17/h6-7,9,18H,4-5,8,16H2,1-3H3
InChIKeyGEYJFHXGKRKFHD-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.16
Rot. Bonds3

About 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol

1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol (PubChem CID 103355179) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol
PubChem CID103355179
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol
SMILESCC(C)Oc1cc(N2CCC(C)(O)C2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-9(2)19-13-7-12(11(16)6-10(13)15)17-5-4-14(3,18)8-17/h6-7,9,18H,4-5,8,16H2,1-3H3
InChIKeyGEYJFHXGKRKFHD-UHFFFAOYSA-N
XLogP2.16
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol (CID 103355179) is 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol is CC(C)Oc1cc(N2CCC(C)(O)C2)c(N)cc1F.
What is the InChIKey of 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol?
The InChIKey is GEYJFHXGKRKFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-9(2)19-13-7-12(11(16)6-10(13)15)17-5-4-14(3,18)8-17/h6-7,9,18H,4-5,8,16H2,1-3H3.
What are the key properties of 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol?
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol has a molecular weight of 268.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).