N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

C17H18F3N — CID 570901

IUPACN-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cccc(CN(C)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N/c1-13-5-3-6-14(9-13)11-21(2)12-15-7-4-8-16(10-15)17(18,19)20/h3-10H,11-12H2,1-2H3
InChIKeyVEAGWWJSCTTZQH-UHFFFAOYSA-N
MW293.33 g/mol
LogP4.65
Rot. Bonds4

About N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 570901) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID570901
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC NameN-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCc1cccc(CN(C)Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H18F3N/c1-13-5-3-6-14(9-13)11-21(2)12-15-7-4-8-16(10-15)17(18,19)20/h3-10H,11-12H2,1-2H3
InChIKeyVEAGWWJSCTTZQH-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
N-methyl-N-oxido-1-[3-(trifluoromethyl)phenyl]methanamine
CID 163878102
N',2,2-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine;hydrochloride
CID 119928729
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
1-[(2-methylpropan-2-yl)oxy]-3-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 110898600
2-chloro-3-methoxy-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63388001
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
N-methyl-1-phenyl-N-[(3-tritylphenyl)methyl]methanamine
CID 174388884
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
N-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 77090966

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 570901) is N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is Cc1cccc(CN(C)Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VEAGWWJSCTTZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-13-5-3-6-14(9-13)11-21(2)12-15-7-4-8-16(10-15)17(18,19)20/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 293.33 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 570901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).