1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine

C16H16F3N — CID 114833840

IUPAC1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F3N/c1-16(20,9-11-2-4-13(17)5-3-11)10-12-8-14(18)6-7-15(12)19/h2-8H,9-10,20H2,1H3
InChIKeyLGQGMZVREWAUDV-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.61
Rot. Bonds4

About 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine

1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine (PubChem CID 114833840) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
PubChem CID114833840
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
SMILESCC(N)(Cc1ccc(F)cc1)Cc1cc(F)ccc1F
InChIInChI=1S/C16H16F3N/c1-16(20,9-11-2-4-13(17)5-3-11)10-12-8-14(18)6-7-15(12)19/h2-8H,9-10,20H2,1H3
InChIKeyLGQGMZVREWAUDV-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114853577
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
1-(2-chloro-5-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 102617543
1-(4-fluorophenyl)-2-methyl-3-pyridin-4-ylpropan-2-amine
CID 114833720
1-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 114347101
2-(3-bromo-2,2-dimethylpropyl)-1,4-difluorobenzene
CID 66047963
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
2-[(2,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 62724715
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833839
2-[(2,5-difluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640414
4-[2-amino-3-(4-aminophenyl)-2-methylpropyl]aniline
CID 54001373

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine (CID 114833840) is 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine is CC(N)(Cc1ccc(F)cc1)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
The InChIKey is LGQGMZVREWAUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-16(20,9-11-2-4-13(17)5-3-11)10-12-8-14(18)6-7-15(12)19/h2-8H,9-10,20H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine?
1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine has a molecular weight of 279.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 114833840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).