1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine

C15H13F4NO — CID 115827761

IUPAC1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccc(OC(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C15H13F4NO/c1-20-14(12-4-2-3-5-13(12)16)10-6-8-11(9-7-10)21-15(17,18)19/h2-9,14,20H,1H3
InChIKeyNYRGREIJOJFTKD-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.03
Rot. Bonds4

About 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine

1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115827761) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID115827761
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCNC(c1ccc(OC(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C15H13F4NO/c1-20-14(12-4-2-3-5-13(12)16)10-6-8-11(9-7-10)21-15(17,18)19/h2-9,14,20H,1H3
InChIKeyNYRGREIJOJFTKD-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
(2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 63893221
1-(2-fluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480563
1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43480952
N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
1-(3,5-dibromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114022874
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462
N-methyl-1-(1,3-thiazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 61331512
1-(2-fluorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 115827734
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
(S)-(3-fluoro-2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171240227
1-[2-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481244

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 115827761) is 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine is CNC(c1ccc(OC(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is NYRGREIJOJFTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-20-14(12-4-2-3-5-13(12)16)10-6-8-11(9-7-10)21-15(17,18)19/h2-9,14,20H,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine?
1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 299.27 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-methyl-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115827761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).