(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

C16H15F4N — CID 102753884

IUPAC(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C16H15F4N/c1-9-3-5-12(17)8-14(9)15(21)13-6-4-11(7-10(13)2)16(18,19)20/h3-8,15H,21H2,1-2H3
InChIKeyWBIIJPRGXCWZHT-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.51
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine

(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102753884) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102753884
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name(5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCc1cc(C(F)(F)F)ccc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C16H15F4N/c1-9-3-5-12(17)8-14(9)15(21)13-6-4-11(7-10(13)2)16(18,19)20/h3-8,15H,21H2,1-2H3
InChIKeyWBIIJPRGXCWZHT-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-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 81278893
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(2-bromo-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758784
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(2-tert-butylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115852087
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115852060
(3-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758356
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102753884) is (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is Cc1cc(C(F)(F)F)ccc1C(N)c1cc(F)ccc1C.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WBIIJPRGXCWZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-9-3-5-12(17)8-14(9)15(21)13-6-4-11(7-10(13)2)16(18,19)20/h3-8,15H,21H2,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
(5-fluoro-2-methylphenyl)-[2-methyl-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 (5-fluoro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102753884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).