5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol

C17H18FNO2 — CID 104793217

IUPAC5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1cccc(CC2(O)CCc3cc(N)ccc32)c1F
InChIInChI=1S/C17H18FNO2/c1-21-15-4-2-3-12(16(15)18)10-17(20)8-7-11-9-13(19)5-6-14(11)17/h2-6,9,20H,7-8,10,19H2,1H3
InChIKeyREJMBOMYVKGYGT-UHFFFAOYSA-N
MW287.33 g/mol
LogP2.79
Rot. Bonds3

About 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol

5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 104793217) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID104793217
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol
SMILESCOc1cccc(CC2(O)CCc3cc(N)ccc32)c1F
InChIInChI=1S/C17H18FNO2/c1-21-15-4-2-3-12(16(15)18)10-17(20)8-7-11-9-13(19)5-6-14(11)17/h2-6,9,20H,7-8,10,19H2,1H3
InChIKeyREJMBOMYVKGYGT-UHFFFAOYSA-N
XLogP2.79
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol (CID 104793217) is 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol is COc1cccc(CC2(O)CCc3cc(N)ccc32)c1F.
What is the InChIKey of 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is REJMBOMYVKGYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-15-4-2-3-12(16(15)18)10-17(20)8-7-11-9-13(19)5-6-14(11)17/h2-6,9,20H,7-8,10,19H2,1H3.
What are the key properties of 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol?
5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 287.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 104793217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).