3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol

C16H16FNO — CID 107128224

IUPAC3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CC(N)c3ccccc32)cc1F
InChIInChI=1S/C16H16FNO/c1-10-6-7-11(8-14(10)17)16(19)9-15(18)12-4-2-3-5-13(12)16/h2-8,15,19H,9,18H2,1H3
InChIKeyCAXMRDGOABESEH-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.77
Rot. Bonds1

About 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol

3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 107128224) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
PubChem CID107128224
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CC(N)c3ccccc32)cc1F
InChIInChI=1S/C16H16FNO/c1-10-6-7-11(8-14(10)17)16(19)9-15(18)12-4-2-3-5-13(12)16/h2-8,15,19H,9,18H2,1H3
InChIKeyCAXMRDGOABESEH-UHFFFAOYSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol (CID 107128224) is 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol is Cc1ccc(C2(O)CC(N)c3ccccc32)cc1F.
What is the InChIKey of 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is CAXMRDGOABESEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-10-6-7-11(8-14(10)17)16(19)9-15(18)12-4-2-3-5-13(12)16/h2-8,15,19H,9,18H2,1H3.
What are the key properties of 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol?
3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 257.31 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoro-4-methylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107128224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).