N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline

C19H16F3N3O — CID 135235795

IUPACN,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline
SMILESCN(C)c1ccccc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H16F3N3O/c1-25(2)16-8-4-3-6-14(16)15-7-5-11-23-18(15)26-13-9-10-17(24-12-13)19(20,21)22/h3-12H,1-2H3
InChIKeyPCHCWDAEACIKTC-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.02
Rot. Bonds4

About N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline

N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline (PubChem CID 135235795) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline
PubChem CID135235795
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline
SMILESCN(C)c1ccccc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C19H16F3N3O/c1-25(2)16-8-4-3-6-14(16)15-7-5-11-23-18(15)26-13-9-10-17(24-12-13)19(20,21)22/h3-12H,1-2H3
InChIKeyPCHCWDAEACIKTC-UHFFFAOYSA-N
XLogP5.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline?
The IUPAC name of N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline (CID 135235795) is N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline is CN(C)c1ccccc1-c1cccnc1Oc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline?
The InChIKey is PCHCWDAEACIKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-25(2)16-8-4-3-6-14(16)15-7-5-11-23-18(15)26-13-9-10-17(24-12-13)19(20,21)22/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline?
N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline has a molecular weight of 359.35 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]aniline is sourced from PubChem (CID 135235795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).