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

C16H16F3NO — CID 62449458

IUPACN-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
SMILESCNCc1ccccc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-20-10-12-6-2-3-7-13(12)11-21-15-9-5-4-8-14(15)16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeyPWEYZDUPSUXLNS-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.00
Rot. Bonds5

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

N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine (PubChem CID 62449458) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
PubChem CID62449458
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC NameN-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine
SMILESCNCc1ccccc1COc1ccccc1C(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-20-10-12-6-2-3-7-13(12)11-21-15-9-5-4-8-14(15)16(17,18)19/h2-9,20H,10-11H2,1H3
InChIKeyPWEYZDUPSUXLNS-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-[2-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 43282524
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
N-methyl-1-[2-[(2-prop-2-enylphenoxy)methyl]phenyl]methanamine
CID 62523589
1,4-dibromo-2,5-bis[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 86588170
N-methyl-1-[2-methyl-3-(trifluoromethyl)phenyl]methanamine
CID 155749063
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
1-[2-[(5-bromo-2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 114676917
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
N-methyl-1-[2-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 62485666
1-[4-[(2-tert-butylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63496953
1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene
CID 173255232
1-[2-[(5-fluoro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 106484539

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine (CID 62449458) is N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine is CNCc1ccccc1COc1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine?
The InChIKey is PWEYZDUPSUXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-20-10-12-6-2-3-7-13(12)11-21-15-9-5-4-8-14(15)16(17,18)19/h2-9,20H,10-11H2,1H3.
What are the key properties of N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine?
N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine has a molecular weight of 295.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]methanamine is sourced from PubChem (CID 62449458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).