3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine

C13H17F2NO — CID 103517069

IUPAC3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(CC1CCOc2ccccc21)C(F)F
InChIInChI=1S/C13H17F2NO/c1-16-11(13(14)15)8-9-6-7-17-12-5-3-2-4-10(9)12/h2-5,9,11,13,16H,6-8H2,1H3
InChIKeyJIYQSUWXWFZSFB-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.80
Rot. Bonds4

About 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine

3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 103517069) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID103517069
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(CC1CCOc2ccccc21)C(F)F
InChIInChI=1S/C13H17F2NO/c1-16-11(13(14)15)8-9-6-7-17-12-5-3-2-4-10(9)12/h2-5,9,11,13,16H,6-8H2,1H3
InChIKeyJIYQSUWXWFZSFB-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265294
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-diethoxy-N-methylpropan-2-amine
CID 104770492
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 104770235
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-cyclobutyl-3-(3,4-dihydro-2H-chromen-4-yl)-N-methylpropan-2-amine
CID 103169448
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 104770544
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
4-(3,4-dihydro-2H-chromen-4-yl)-3-fluorobutan-1-amine
CID 104772612

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine (CID 103517069) is 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine is CNC(CC1CCOc2ccccc21)C(F)F.
What is the InChIKey of 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is JIYQSUWXWFZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-16-11(13(14)15)8-9-6-7-17-12-5-3-2-4-10(9)12/h2-5,9,11,13,16H,6-8H2,1H3.
What are the key properties of 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine?
3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 241.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-chromen-4-yl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 103517069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).