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

C16H17FN2O — CID 114713701

IUPAC7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cnccc2C)Oc2cc(F)ccc21
InChIInChI=1S/C16H17FN2O/c1-10-5-6-19-9-13(10)16-8-14(18-2)12-4-3-11(17)7-15(12)20-16/h3-7,9,14,16,18H,8H2,1-2H3
InChIKeyZYVCGDSVSWHAQS-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.31
Rot. Bonds2

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

7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713701) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713701
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2cnccc2C)Oc2cc(F)ccc21
InChIInChI=1S/C16H17FN2O/c1-10-5-6-19-9-13(10)16-8-14(18-2)12-4-3-11(17)7-15(12)20-16/h3-7,9,14,16,18H,8H2,1-2H3
InChIKeyZYVCGDSVSWHAQS-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
7-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713682
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713739
7-fluoro-2-(3-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713587
2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713579
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681
2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
7-fluoro-N-propyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713915
2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846174

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine (CID 114713701) is 7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2cnccc2C)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZYVCGDSVSWHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-5-6-19-9-13(10)16-8-14(18-2)12-4-3-11(17)7-15(12)20-16/h3-7,9,14,16,18H,8H2,1-2H3.
What are the key properties of 7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine?
7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 272.32 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).