1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine

C16H15F4N — CID 114932067

IUPAC1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1F)Cc1c(F)cccc1F
InChIInChI=1S/C16H15F4N/c1-21-12(7-10-5-6-11(17)8-16(10)20)9-13-14(18)3-2-4-15(13)19/h2-6,8,12,21H,7,9H2,1H3
InChIKeyXQSCCADPGGJGQV-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.62
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine

1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine (PubChem CID 114932067) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
PubChem CID114932067
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1F)Cc1c(F)cccc1F
InChIInChI=1S/C16H15F4N/c1-21-12(7-10-5-6-11(17)8-16(10)20)9-13-14(18)3-2-4-15(13)19/h2-6,8,12,21H,7,9H2,1H3
InChIKeyXQSCCADPGGJGQV-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66054054
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
1-(2,4-difluorophenyl)-N-methyl-4-phenylbutan-2-amine
CID 62196246
1-cyclopentyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 64560428
1-(2,3-difluorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-2-amine
CID 115809477
1-(2,4-difluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105117577
1-(3,4-dichlorophenyl)-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 62196904
1-(2,4-difluorophenyl)-N-methylundecan-2-amine
CID 64560625
1-(2,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 62196900
1-butan-2-ylsulfanyl-3-(2,4-difluorophenyl)-N-methylpropan-2-amine
CID 65135965
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877670

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine (CID 114932067) is 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(F)cc1F)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
The InChIKey is XQSCCADPGGJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-21-12(7-10-5-6-11(17)8-16(10)20)9-13-14(18)3-2-4-15(13)19/h2-6,8,12,21H,7,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine?
1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine has a molecular weight of 297.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 114932067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).