8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine

C13H18FNO — CID 107659828

IUPAC8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CCOc2c1ccc(C)c2F
InChIInChI=1S/C13H18FNO/c1-3-7-15-11-6-8-16-13-10(11)5-4-9(2)12(13)14/h4-5,11,15H,3,6-8H2,1-2H3
InChIKeyLGAPZDFHXQMPLK-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.96
Rot. Bonds3

About 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine

8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107659828) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID107659828
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCNC1CCOc2c1ccc(C)c2F
InChIInChI=1S/C13H18FNO/c1-3-7-15-11-6-8-16-13-10(11)5-4-9(2)12(13)14/h4-5,11,15H,3,6-8H2,1-2H3
InChIKeyLGAPZDFHXQMPLK-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine (CID 107659828) is 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is CCCNC1CCOc2c1ccc(C)c2F.
What is the InChIKey of 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LGAPZDFHXQMPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-7-15-11-6-8-16-13-10(11)5-4-9(2)12(13)14/h4-5,11,15H,3,6-8H2,1-2H3.
What are the key properties of 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine?
8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 223.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107659828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).