N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine

C12H14F6N2O — CID 103312224

IUPACN-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine
SMILESCCNC(c1cncc(OC)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F6N2O/c1-3-20-9(7-4-8(21-2)6-19-5-7)10(11(13,14)15)12(16,17)18/h4-6,9-10,20H,3H2,1-2H3
InChIKeyOQYPAJANLQXMIA-UHFFFAOYSA-N
MW316.25 g/mol
LogP3.48
Rot. Bonds5

About N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine

N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312224) has the molecular formula C12H14F6N2O and a molecular weight of 316.25 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103312224
Molecular FormulaC12H14F6N2O
Molecular Weight316.25 g/mol
Exact Mass316.10
IUPAC NameN-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine
SMILESCCNC(c1cncc(OC)c1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F6N2O/c1-3-20-9(7-4-8(21-2)6-19-5-7)10(11(13,14)15)12(16,17)18/h4-6,9-10,20H,3H2,1-2H3
InChIKeyOQYPAJANLQXMIA-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026191
2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
CID 116760136
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726056
N-[(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105025866
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105026071
N-[(4,4-difluorocyclohexyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105175259
N-[(2,6-difluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025947
N-[(3-chloro-5-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025798
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
N-[(2-bromo-3,4-difluorophenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 107539197

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine (CID 103312224) is N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine is CCNC(c1cncc(OC)c1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is OQYPAJANLQXMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2O/c1-3-20-9(7-4-8(21-2)6-19-5-7)10(11(13,14)15)12(16,17)18/h4-6,9-10,20H,3H2,1-2H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine?
N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 316.25 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).