8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine

C16H16FNO2 — CID 167449634

IUPAC8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine
SMILESNc1ccc(OCc2cccc(F)c2)c2c1CCCO2
InChIInChI=1S/C16H16FNO2/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1,3-4,6-7,9H,2,5,8,10,18H2
InChIKeyOGIKXAQQVWUARF-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.31
Rot. Bonds3

About 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine

8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine (PubChem CID 167449634) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine
PubChem CID167449634
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine
SMILESNc1ccc(OCc2cccc(F)c2)c2c1CCCO2
InChIInChI=1S/C16H16FNO2/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1,3-4,6-7,9H,2,5,8,10,18H2
InChIKeyOGIKXAQQVWUARF-UHFFFAOYSA-N
XLogP3.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
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 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine?
The IUPAC name of 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine (CID 167449634) is 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine.
What is the SMILES notation for 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine?
The canonical SMILES for 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine is Nc1ccc(OCc2cccc(F)c2)c2c1CCCO2.
What is the InChIKey of 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine?
The InChIKey is OGIKXAQQVWUARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1,3-4,6-7,9H,2,5,8,10,18H2.
What are the key properties of 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine?
8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine has a molecular weight of 273.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methoxy]-3,4-dihydro-2H-chromen-5-amine is sourced from PubChem (CID 167449634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).