N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline

C14H17F3N2O — CID 59454398

IUPACN-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline
SMILESCNc1cc(C2=CCN(C)CC2)ccc1OC(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-18-12-9-11(10-5-7-19(2)8-6-10)3-4-13(12)20-14(15,16)17/h3-5,9,18H,6-8H2,1-2H3
InChIKeyPXULQBSAOQRORW-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.35
Rot. Bonds3

About N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline

N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline (PubChem CID 59454398) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline
PubChem CID59454398
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline
SMILESCNc1cc(C2=CCN(C)CC2)ccc1OC(F)(F)F
InChIInChI=1S/C14H17F3N2O/c1-18-12-9-11(10-5-7-19(2)8-6-10)3-4-13(12)20-14(15,16)17/h3-5,9,18H,6-8H2,1-2H3
InChIKeyPXULQBSAOQRORW-UHFFFAOYSA-N
XLogP3.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline?
The IUPAC name of N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline (CID 59454398) is N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline is CNc1cc(C2=CCN(C)CC2)ccc1OC(F)(F)F.
What is the InChIKey of N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline?
The InChIKey is PXULQBSAOQRORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-18-12-9-11(10-5-7-19(2)8-6-10)3-4-13(12)20-14(15,16)17/h3-5,9,18H,6-8H2,1-2H3.
What are the key properties of N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline?
N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline has a molecular weight of 286.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 59454398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).