N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine

C15H18FN3O — CID 138032353

IUPACN-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ncc(CNC2CCOc3ccc(F)cc32)n1C
InChIInChI=1S/C15H18FN3O/c1-10-17-8-12(19(10)2)9-18-14-5-6-20-15-4-3-11(16)7-13(14)15/h3-4,7-8,14,18H,5-6,9H2,1-2H3
InChIKeyKQYIKJVRGSHIKK-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.48
Rot. Bonds3

About N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine

N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 138032353) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID138032353
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ncc(CNC2CCOc3ccc(F)cc32)n1C
InChIInChI=1S/C15H18FN3O/c1-10-17-8-12(19(10)2)9-18-14-5-6-20-15-4-3-11(16)7-13(14)15/h3-4,7-8,14,18H,5-6,9H2,1-2H3
InChIKeyKQYIKJVRGSHIKK-UHFFFAOYSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 138032353) is N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine is Cc1ncc(CNC2CCOc3ccc(F)cc32)n1C.
What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KQYIKJVRGSHIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-17-8-12(19(10)2)9-18-14-5-6-20-15-4-3-11(16)7-13(14)15/h3-4,7-8,14,18H,5-6,9H2,1-2H3.
What are the key properties of N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 275.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazol-4-yl)methyl]-6-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 138032353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).