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

C10H12FNO — CID 89390104

IUPAC8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine
SMILESCNc1cc(F)c2c(c1)CCCO2
InChIInChI=1S/C10H12FNO/c1-12-8-5-7-3-2-4-13-10(7)9(11)6-8/h5-6,12H,2-4H2,1H3
InChIKeyJYCPXXVYKLPKHY-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.19
Rot. Bonds1

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

8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine (PubChem CID 89390104) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine
PubChem CID89390104
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine
SMILESCNc1cc(F)c2c(c1)CCCO2
InChIInChI=1S/C10H12FNO/c1-12-8-5-7-3-2-4-13-10(7)9(11)6-8/h5-6,12H,2-4H2,1H3
InChIKeyJYCPXXVYKLPKHY-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine (CID 89390104) is 8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine is CNc1cc(F)c2c(c1)CCCO2.
What is the InChIKey of 8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is JYCPXXVYKLPKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-12-8-5-7-3-2-4-13-10(7)9(11)6-8/h5-6,12H,2-4H2,1H3.
What are the key properties of 8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine?
8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 181.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-methyl-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 89390104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).