N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline

C17H19F3N2O2 — CID 144784376

IUPACN-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
SMILESCNc1cccc(OC(F)(F)F)c1COc1cccc(C(C)C)n1
InChIInChI=1S/C17H19F3N2O2/c1-11(2)13-6-5-9-16(22-13)23-10-12-14(21-3)7-4-8-15(12)24-17(18,19)20/h4-9,11,21H,10H2,1-3H3
InChIKeyLBATUBAZUMTEJK-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.72
Rot. Bonds6

About N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline

N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline (PubChem CID 144784376) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
PubChem CID144784376
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC NameN-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
SMILESCNc1cccc(OC(F)(F)F)c1COc1cccc(C(C)C)n1
InChIInChI=1S/C17H19F3N2O2/c1-11(2)13-6-5-9-16(22-13)23-10-12-14(21-3)7-4-8-15(12)24-17(18,19)20/h4-9,11,21H,10H2,1-3H3
InChIKeyLBATUBAZUMTEJK-UHFFFAOYSA-N
XLogP4.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile
CID 144784659
2-[(6-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
CID 144784348
3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline
CID 144784650
2-[(4-chloro-3-pyridinyl)oxymethyl]-N-methyl-3-(trifluoromethoxy)aniline;formohydrazide
CID 144784338
6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile
CID 144783847
3-chloro-N-methyl-2-[(6-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783827
3-bromo-N-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline;ethane;formohydrazide
CID 144784532
[1-phosphanyl-1-[(6-propan-2-yl-2-pyridinyl)oxy]ethyl]phosphane
CID 170099166
3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144784654
2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine
CID 141189670
2-[[2-nitro-6-(trifluoromethoxy)phenyl]methoxy]pyridine
CID 144783794
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline?
The IUPAC name of N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline (CID 144784376) is N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline is CNc1cccc(OC(F)(F)F)c1COc1cccc(C(C)C)n1.
What is the InChIKey of N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline?
The InChIKey is LBATUBAZUMTEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-11(2)13-6-5-9-16(22-13)23-10-12-14(21-3)7-4-8-15(12)24-17(18,19)20/h4-9,11,21H,10H2,1-3H3.
What are the key properties of N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline?
N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline has a molecular weight of 340.35 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 144784376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).