7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine

C15H15FN2O — CID 114710334

IUPAC7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2CC(N)c3ccc(F)cc3O2)cn1
InChIInChI=1S/C15H15FN2O/c1-9-2-3-10(8-18-9)14-7-13(17)12-5-4-11(16)6-15(12)19-14/h2-6,8,13-14H,7,17H2,1H3
InChIKeyZOIBYRJIZYKCQG-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.05
Rot. Bonds1

About 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine

7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710334) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710334
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(C2CC(N)c3ccc(F)cc3O2)cn1
InChIInChI=1S/C15H15FN2O/c1-9-2-3-10(8-18-9)14-7-13(17)12-5-4-11(16)6-15(12)19-14/h2-6,8,13-14H,7,17H2,1H3
InChIKeyZOIBYRJIZYKCQG-UHFFFAOYSA-N
XLogP3.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713682
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762
(4R)-6-chloro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945059
(4R)-6-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948412
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
6-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710538
(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947651
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
2-(2,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114710248
(4R)-2-(4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944806

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (CID 114710334) is 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(C2CC(N)c3ccc(F)cc3O2)cn1.
What is the InChIKey of 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZOIBYRJIZYKCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-2-3-10(8-18-9)14-7-13(17)12-5-4-11(16)6-15(12)19-14/h2-6,8,13-14H,7,17H2,1H3.
What are the key properties of 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 258.30 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).