2,6-dimethyl-4-(trifluoromethyl)aniline;methane

C10H14F3N — CID 160577208

IUPAC2,6-dimethyl-4-(trifluoromethyl)aniline;methane
SMILESC.Cc1cc(C(F)(F)F)cc(C)c1N
InChIInChI=1S/C9H10F3N.CH4/c1-5-3-7(9(10,11)12)4-6(2)8(5)13;/h3-4H,13H2,1-2H3;1H4
InChIKeyRBHQXMWYGMUDNO-UHFFFAOYSA-N
MW205.22 g/mol
LogP3.54
Rot. Bonds

About 2,6-dimethyl-4-(trifluoromethyl)aniline;methane

2,6-dimethyl-4-(trifluoromethyl)aniline;methane (PubChem CID 160577208) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 2,6-dimethyl-4-(trifluoromethyl)aniline;methane.

Molecular Properties

Compound Name2,6-dimethyl-4-(trifluoromethyl)aniline;methane
PubChem CID160577208
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name2,6-dimethyl-4-(trifluoromethyl)aniline;methane
SMILESC.Cc1cc(C(F)(F)F)cc(C)c1N
InChIInChI=1S/C9H10F3N.CH4/c1-5-3-7(9(10,11)12)4-6(2)8(5)13;/h3-4H,13H2,1-2H3;1H4
InChIKeyRBHQXMWYGMUDNO-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039
1-[2-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 131296470
2-amino-3-methyl-5-(trifluoromethyl)benzoic acid
CID 122548214
3-(trifluoromethyl)bicyclo[3.1.0]hexa-1,3,5-trien-6-amine
CID 174741615
ethane;methyl 2-amino-3-methyl-5-(trifluoromethyl)benzoate
CID 144894473
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
2,3-dimethyl-5-(trifluoromethyl)phenol
CID 130769403
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
cobalt;2,4,6-trimethylaniline
CID 159454360
2,6-dimethyl-4-(1,1,2,2,2-pentafluoroethylsulfonyl)aniline
CID 23123767
2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylaniline
CID 96536452
4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline
CID 146638206

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(trifluoromethyl)aniline;methane?
The IUPAC name of 2,6-dimethyl-4-(trifluoromethyl)aniline;methane (CID 160577208) is 2,6-dimethyl-4-(trifluoromethyl)aniline;methane.
What is the SMILES notation for 2,6-dimethyl-4-(trifluoromethyl)aniline;methane?
The canonical SMILES for 2,6-dimethyl-4-(trifluoromethyl)aniline;methane is C.Cc1cc(C(F)(F)F)cc(C)c1N.
What is the InChIKey of 2,6-dimethyl-4-(trifluoromethyl)aniline;methane?
The InChIKey is RBHQXMWYGMUDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.CH4/c1-5-3-7(9(10,11)12)4-6(2)8(5)13;/h3-4H,13H2,1-2H3;1H4.
What are the key properties of 2,6-dimethyl-4-(trifluoromethyl)aniline;methane?
2,6-dimethyl-4-(trifluoromethyl)aniline;methane has a molecular weight of 205.22 g/mol, XLogP of 3.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(trifluoromethyl)aniline;methane is sourced from PubChem (CID 160577208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).