6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine

C10H12FNO — CID 55293947

IUPAC6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(F)cc2c1OCCC2N
InChIInChI=1S/C10H12FNO/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h4-5,9H,2-3,12H2,1H3
InChIKeyLQYPVZGJJRSKMC-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.92
Rot. Bonds

About 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine

6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 55293947) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID55293947
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cc(F)cc2c1OCCC2N
InChIInChI=1S/C10H12FNO/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h4-5,9H,2-3,12H2,1H3
InChIKeyLQYPVZGJJRSKMC-UHFFFAOYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine (CID 55293947) is 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1cc(F)cc2c1OCCC2N.
What is the InChIKey of 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LQYPVZGJJRSKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h4-5,9H,2-3,12H2,1H3.
What are the key properties of 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 181.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 55293947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).