N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C12H16F4N2O — CID 151677049

IUPACN-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C12H16F4N2O/c1-11(2,3)18-6-8-4-9(13)10(17-5-8)19-7-12(14,15)16/h4-5,18H,6-7H2,1-3H3
InChIKeyQZSYMIIIBFWKRX-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.05
Rot. Bonds4

About N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 151677049) has the molecular formula C12H16F4N2O and a molecular weight of 280.27 g/mol. Its IUPAC name is N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID151677049
Molecular FormulaC12H16F4N2O
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC NameN-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C12H16F4N2O/c1-11(2,3)18-6-8-4-9(13)10(17-5-8)19-7-12(14,15)16/h4-5,18H,6-7H2,1-3H3
InChIKeyQZSYMIIIBFWKRX-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
CID 67509821
3-fluoro-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
CID 161358659
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 55058238
4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63060715
N-[[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]methyl]-2-methylpropan-2-amine
CID 79892271
[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanol
CID 67509343
4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline
CID 63060506
N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62296676
5-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637359
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058994
N-[[2-(2-bromo-3,4-difluorophenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 107540920

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 151677049) is N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(OCC(F)(F)F)c(F)c1.
What is the InChIKey of N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QZSYMIIIBFWKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c1-11(2,3)18-6-8-4-9(13)10(17-5-8)19-7-12(14,15)16/h4-5,18H,6-7H2,1-3H3.
What are the key properties of N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 280.27 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 151677049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).