1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine

C16H16F3N — CID 64770314

IUPAC1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)c1c(F)cccc1F
InChIInChI=1S/C16H16F3N/c1-16(2,10-6-8-11(17)9-7-10)15(20)14-12(18)4-3-5-13(14)19/h3-9,15H,20H2,1-2H3
InChIKeyMDVAIVUKRPVYNE-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.08
Rot. Bonds3

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

1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 64770314) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
PubChem CID64770314
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(C)(c1ccc(F)cc1)C(N)c1c(F)cccc1F
InChIInChI=1S/C16H16F3N/c1-16(2,10-6-8-11(17)9-7-10)15(20)14-12(18)4-3-5-13(14)19/h3-9,15H,20H2,1-2H3
InChIKeyMDVAIVUKRPVYNE-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-1-(furan-2-yl)-2-methylpropan-1-amine
CID 64770505
2-(4-fluorophenyl)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 64769920
1-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 64768356
1-(2,6-difluoro-3-methylphenyl)-2-methyl-2-phenylpropan-1-amine
CID 82823293
[1-(2,3-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropyl]hydrazine
CID 105223581
2-[(1S)-1-amino-2,2-dimethylpropyl]-3-fluoroaniline
CID 130715208
1-fluoro-4-[2-(4-fluorophenyl)propan-2-yl]benzene
CID 22572271
2-(4-fluorophenyl)-2-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 64770702
1-(2,6-difluorophenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79063864
(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130901944
4-(4-fluorophenyl)-4-methyl-1-phenylpentan-3-amine
CID 64768756
3-(4-fluorophenyl)-3-methyl-1-(2-methylphenyl)butan-2-amine
CID 64769730

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine (CID 64770314) is 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine is CC(C)(c1ccc(F)cc1)C(N)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is MDVAIVUKRPVYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-16(2,10-6-8-11(17)9-7-10)15(20)14-12(18)4-3-5-13(14)19/h3-9,15H,20H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine?
1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(4-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 64770314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).