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

C17H15F6N — CID 134793039

IUPACN-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F6N/c1-24(10-12-4-2-6-14(8-12)16(18,19)20)11-13-5-3-7-15(9-13)17(21,22)23/h2-9H,10-11H2,1H3
InChIKeyCSVKOYYYEMHYMT-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.36
Rot. Bonds4

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

N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 134793039) has the molecular formula C17H15F6N and a molecular weight of 347.30 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID134793039
Molecular FormulaC17H15F6N
Molecular Weight347.30 g/mol
Exact Mass347.11
IUPAC NameN-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F6N/c1-24(10-12-4-2-6-14(8-12)16(18,19)20)11-13-5-3-7-15(9-13)17(21,22)23/h2-9H,10-11H2,1H3
InChIKeyCSVKOYYYEMHYMT-UHFFFAOYSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (CID 134793039) is N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is CN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is CSVKOYYYEMHYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N/c1-24(10-12-4-2-6-14(8-12)16(18,19)20)11-13-5-3-7-15(9-13)17(21,22)23/h2-9H,10-11H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 347.30 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 134793039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).