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

C16H13F6NO2 — CID 112803590

IUPAC1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccccc1CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H13F6NO2/c17-15(18,19)24-13-7-3-1-5-11(13)9-23-10-12-6-2-4-8-14(12)25-16(20,21)22/h1-8,23H,9-10H2
InChIKeySODGGZUFMQDYFX-UHFFFAOYSA-N
MW365.27 g/mol
LogP4.77
Rot. Bonds6

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

1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 112803590) has the molecular formula C16H13F6NO2 and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID112803590
Molecular FormulaC16H13F6NO2
Molecular Weight365.27 g/mol
Exact Mass365.09
IUPAC Name1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccccc1CNCc1ccccc1OC(F)(F)F
InChIInChI=1S/C16H13F6NO2/c17-15(18,19)24-13-7-3-1-5-11(13)9-23-10-12-6-2-4-8-14(12)25-16(20,21)22/h1-8,23H,9-10H2
InChIKeySODGGZUFMQDYFX-UHFFFAOYSA-N
XLogP4.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
N-[[2-(trifluoromethoxy)phenyl]methyl]octan-1-amine
CID 115566606
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
N-[(3-methylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 112722504
1-(1-methylpyrazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 78920807
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 65246409
2,2-dimethyl-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanenitrile
CID 104587087
(E)-N-[[2-(trifluoromethoxy)phenyl]methyl]pent-3-en-1-amine
CID 115629021

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine (CID 112803590) is 1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine is FC(F)(F)Oc1ccccc1CNCc1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is SODGGZUFMQDYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO2/c17-15(18,19)24-13-7-3-1-5-11(13)9-23-10-12-6-2-4-8-14(12)25-16(20,21)22/h1-8,23H,9-10H2.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine?
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 365.27 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 112803590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).