1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

C17H18F3N — CID 115850344

IUPAC1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1cccc(C)c1C
InChIInChI=1S/C17H18F3N/c1-11-7-6-9-13(12(11)2)16(21-3)14-8-4-5-10-15(14)17(18,19)20/h4-10,16,21H,1-3H3
InChIKeyVXHXIOLVHGEBMV-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.63
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 115850344) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID115850344
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1cccc(C)c1C
InChIInChI=1S/C17H18F3N/c1-11-7-6-9-13(12(11)2)16(21-3)14-8-4-5-10-15(14)17(18,19)20/h4-10,16,21H,1-3H3
InChIKeyVXHXIOLVHGEBMV-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115850587
N-methyl-1-(2-methylfuran-3-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104789859
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
1-(5-bromo-2-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853969
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
N-methyl-1-(6-methyl-2-pyridinyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 63555777
1-(2,3-dimethylphenyl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140563
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(5-chloro-2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 114886168
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
1-(2,3-dimethylphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 113455239
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65279026

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 115850344) is 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1ccccc1C(F)(F)F)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VXHXIOLVHGEBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-11-7-6-9-13(12(11)2)16(21-3)14-8-4-5-10-15(14)17(18,19)20/h4-10,16,21H,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 293.33 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115850344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).