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

C16H13F6NO — CID 55464693

IUPAC1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F6NO/c17-15(18,19)13-3-1-2-12(8-13)10-23-9-11-4-6-14(7-5-11)24-16(20,21)22/h1-8,23H,9-10H2
InChIKeyMBQHLRDCKPAODN-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.89
Rot. Bonds5

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

1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 55464693) has the molecular formula C16H13F6NO and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID55464693
Molecular FormulaC16H13F6NO
Molecular Weight349.27 g/mol
Exact Mass349.09
IUPAC Name1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F6NO/c17-15(18,19)13-3-1-2-12(8-13)10-23-9-11-4-6-14(7-5-11)24-16(20,21)22/h1-8,23H,9-10H2
InChIKeyMBQHLRDCKPAODN-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine (CID 55464693) is 1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)Oc1ccc(CNCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is MBQHLRDCKPAODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO/c17-15(18,19)13-3-1-2-12(8-13)10-23-9-11-4-6-14(7-5-11)24-16(20,21)22/h1-8,23H,9-10H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine?
1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 349.27 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 55464693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).