N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine

C16H16F3NO — CID 66478855

IUPACN-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCNCc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C16H16F3NO/c1-11-9-12(10-20-2)3-8-15(11)13-4-6-14(7-5-13)21-16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyZSESDSSWVJYPPU-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.28
Rot. Bonds4

About N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine

N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine (PubChem CID 66478855) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
PubChem CID66478855
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine
SMILESCNCc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C16H16F3NO/c1-11-9-12(10-20-2)3-8-15(11)13-4-6-14(7-5-13)21-16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyZSESDSSWVJYPPU-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine (CID 66478855) is N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine is CNCc1ccc(-c2ccc(OC(F)(F)F)cc2)c(C)c1.
What is the InChIKey of N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
The InChIKey is ZSESDSSWVJYPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-9-12(10-20-2)3-8-15(11)13-4-6-14(7-5-13)21-16(17,18)19/h3-9,20H,10H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine?
N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methanamine is sourced from PubChem (CID 66478855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).