1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol

C17H18FNO — CID 43637091

IUPAC1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(NC1CCc2c(O)cccc21)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-11(12-4-2-5-13(18)10-12)19-16-9-8-15-14(16)6-3-7-17(15)20/h2-7,10-11,16,19-20H,8-9H2,1H3
InChIKeyYHPZRLLTUUDONJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.87
Rot. Bonds3

About 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol

1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 43637091) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID43637091
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCC(NC1CCc2c(O)cccc21)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-11(12-4-2-5-13(18)10-12)19-16-9-8-15-14(16)6-3-7-17(15)20/h2-7,10-11,16,19-20H,8-9H2,1H3
InChIKeyYHPZRLLTUUDONJ-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol (CID 43637091) is 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol is CC(NC1CCc2c(O)cccc21)c1cccc(F)c1.
What is the InChIKey of 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is YHPZRLLTUUDONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11(12-4-2-5-13(18)10-12)19-16-9-8-15-14(16)6-3-7-17(15)20/h2-7,10-11,16,19-20H,8-9H2,1H3.
What are the key properties of 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 271.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43637091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).