(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine

C16H15F4N — CID 106877167

IUPAC(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(F)cc(C)c1C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F4N/c1-9-7-13(17)8-10(2)14(9)15(21)11-3-5-12(6-4-11)16(18,19)20/h3-8,15H,21H2,1-2H3
InChIKeyGWYGLHOVHSDLAH-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.51
Rot. Bonds2

About (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine

(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 106877167) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID106877167
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(F)cc(C)c1C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F4N/c1-9-7-13(17)8-10(2)14(9)15(21)11-3-5-12(6-4-11)16(18,19)20/h3-8,15H,21H2,1-2H3
InChIKeyGWYGLHOVHSDLAH-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877511
[4-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)methanamine
CID 43100339
2-[chloro-[4-(trifluoromethyl)phenyl]methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879788
(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115852240
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 106877521
(5-bromo-4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 79992170
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(S)-(3-methyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144422
(3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877482
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877289
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43561305
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine (CID 106877167) is (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine is Cc1cc(F)cc(C)c1C(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is GWYGLHOVHSDLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-9-7-13(17)8-10(2)14(9)15(21)11-3-5-12(6-4-11)16(18,19)20/h3-8,15H,21H2,1-2H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine?
(4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 297.30 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 106877167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).