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

C16H16F3N — CID 11951758

IUPACN-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N/c1-20(11-13-6-3-2-4-7-13)12-14-8-5-9-15(10-14)16(17,18)19/h2-10H,11-12H2,1H3
InChIKeyBQHXYLDBKQGLEU-UHFFFAOYSA-N
MW279.31 g/mol
LogP4.34
Rot. Bonds4

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

N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 11951758) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID11951758
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC NameN-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESCN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3N/c1-20(11-13-6-3-2-4-7-13)12-14-8-5-9-15(10-14)16(17,18)19/h2-10H,11-12H2,1H3
InChIKeyBQHXYLDBKQGLEU-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (CID 11951758) is N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is CN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is BQHXYLDBKQGLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c1-20(11-13-6-3-2-4-7-13)12-14-8-5-9-15(10-14)16(17,18)19/h2-10H,11-12H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 279.31 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 11951758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).