[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine

C16H16FNO — CID 90241806

IUPAC[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESNCC1CCOc2cc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C16H16FNO/c17-14-3-1-2-11(8-14)12-4-5-15-13(10-18)6-7-19-16(15)9-12/h1-5,8-9,13H,6-7,10,18H2
InChIKeyZQOJWLWHLIVPFB-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.32
Rot. Bonds2

About [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine

[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine (PubChem CID 90241806) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine.

Molecular Properties

Compound Name[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
PubChem CID90241806
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
SMILESNCC1CCOc2cc(-c3cccc(F)c3)ccc21
InChIInChI=1S/C16H16FNO/c17-14-3-1-2-11(8-14)12-4-5-15-13(10-18)6-7-19-16(15)9-12/h1-5,8-9,13H,6-7,10,18H2
InChIKeyZQOJWLWHLIVPFB-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
The IUPAC name of [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine (CID 90241806) is [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine.
What is the SMILES notation for [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
The canonical SMILES for [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine is NCC1CCOc2cc(-c3cccc(F)c3)ccc21.
What is the InChIKey of [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
The InChIKey is ZQOJWLWHLIVPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-14-3-1-2-11(8-14)12-4-5-15-13(10-18)6-7-19-16(15)9-12/h1-5,8-9,13H,6-7,10,18H2.
What are the key properties of [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine?
[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine has a molecular weight of 257.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine is sourced from PubChem (CID 90241806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).