N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine

C16H16F3NO — CID 105406518

IUPACN-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESCNCc1ccc(C)c(Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-11-7-8-12(10-20-2)9-15(11)21-14-6-4-3-5-13(14)16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyCVTCNKNTJIHQPX-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.53
Rot. Bonds4

About N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine

N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine (PubChem CID 105406518) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
PubChem CID105406518
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
SMILESCNCc1ccc(C)c(Oc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO/c1-11-7-8-12(10-20-2)9-15(11)21-14-6-4-3-5-13(14)16(17,18)19/h3-9,20H,10H2,1-2H3
InChIKeyCVTCNKNTJIHQPX-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[5-methyl-6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 80637413
N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
1-[3-(4-fluoro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407476
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 106531188
1-[3-(5-chloro-2-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407414
1-[3-methoxy-4-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 155970638
4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene
CID 63567308
1-[3-(3,4-dimethylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406718
N-methyl-1-[4-methyl-3-(3-methyl-2-nitrophenoxy)phenyl]methanamine
CID 105407168
1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407266
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine (CID 105406518) is N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine is CNCc1ccc(C)c(Oc2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine?
The InChIKey is CVTCNKNTJIHQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-11-7-8-12(10-20-2)9-15(11)21-14-6-4-3-5-13(14)16(17,18)19/h3-9,20H,10H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine?
N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-3-[2-(trifluoromethyl)phenoxy]phenyl]methanamine is sourced from PubChem (CID 105406518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).