2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C16H15F2NO — CID 114712078

IUPAC2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(F)c(F)c2)Oc2ccccc21
InChIInChI=1S/C16H15F2NO/c1-19-14-9-16(10-6-7-12(17)13(18)8-10)20-15-5-3-2-4-11(14)15/h2-8,14,16,19H,9H2,1H3
InChIKeyDAWGTNWIOOTFSZ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.75
Rot. Bonds2

About 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712078) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712078
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(F)c(F)c2)Oc2ccccc21
InChIInChI=1S/C16H15F2NO/c1-19-14-9-16(10-6-7-12(17)13(18)8-10)20-15-5-3-2-4-11(14)15/h2-8,14,16,19H,9H2,1H3
InChIKeyDAWGTNWIOOTFSZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711272
2-(5-bromo-2-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974
(1S,3S)-3-(3,4-difluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582043
2-(3-bromo-4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711935
2-(4-methoxy-3-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712081
6-fluoro-2-(3-fluoro-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710423
2-(4-chloro-3-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712639
6-fluoro-2-(4-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710493
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712565
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715039
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114712078) is 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(F)c(F)c2)Oc2ccccc21.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DAWGTNWIOOTFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-19-14-9-16(10-6-7-12(17)13(18)8-10)20-15-5-3-2-4-11(14)15/h2-8,14,16,19H,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 275.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).