N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine

C13H19F3N2O — CID 105065948

IUPACN-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccncc1OC
InChIInChI=1S/C13H19F3N2O/c1-3-18-11(5-4-7-13(14,15)16)10-6-8-17-9-12(10)19-2/h6,8-9,11,18H,3-5,7H2,1-2H3
InChIKeyYDVJLZIXXLWSQO-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.47
Rot. Bonds7

About N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine

N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine (PubChem CID 105065948) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
PubChem CID105065948
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccncc1OC
InChIInChI=1S/C13H19F3N2O/c1-3-18-11(5-4-7-13(14,15)16)10-6-8-17-9-12(10)19-2/h6,8-9,11,18H,3-5,7H2,1-2H3
InChIKeyYDVJLZIXXLWSQO-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
CID 105065946
N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
CID 105065659
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
1-(4-bromo-2-methoxyphenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024137
N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine
CID 103374480
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 103052808
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002
N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine
CID 114856842
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105066036
N-ethyl-1-(3-methoxy-4-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105065449
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065910
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine (CID 105065948) is N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine is CCNC(CCCC(F)(F)F)c1ccncc1OC.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine?
The InChIKey is YDVJLZIXXLWSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-18-11(5-4-7-13(14,15)16)10-6-8-17-9-12(10)19-2/h6,8-9,11,18H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine?
N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine has a molecular weight of 276.30 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine is sourced from PubChem (CID 105065948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).