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

C14H21F3N2O — CID 105065946

IUPAC5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccncc1OC
InChIInChI=1S/C14H21F3N2O/c1-3-8-19-12(5-4-7-14(15,16)17)11-6-9-18-10-13(11)20-2/h6,9-10,12,19H,3-5,7-8H2,1-2H3
InChIKeyZHXIMXJWFVLOBY-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.86
Rot. Bonds8

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

5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine (PubChem CID 105065946) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
PubChem CID105065946
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1ccncc1OC
InChIInChI=1S/C14H21F3N2O/c1-3-8-19-12(5-4-7-14(15,16)17)11-6-9-18-10-13(11)20-2/h6,9-10,12,19H,3-5,7-8H2,1-2H3
InChIKeyZHXIMXJWFVLOBY-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
CID 105065948
5,5,5-trifluoro-N-propyl-1-pyrimidin-4-ylpentan-1-amine
CID 113327036
N-[2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065826
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036
4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
N-ethyl-1-(3-methoxy-4-pyridinyl)hex-5-en-1-amine
CID 105065659
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065400
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220
1-(4-bromo-2-methoxyphenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024137

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine (CID 105065946) is 5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1ccncc1OC.
What is the InChIKey of 5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine?
The InChIKey is ZHXIMXJWFVLOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-3-8-19-12(5-4-7-14(15,16)17)11-6-9-18-10-13(11)20-2/h6,9-10,12,19H,3-5,7-8H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine has a molecular weight of 290.33 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)-N-propylpentan-1-amine is sourced from PubChem (CID 105065946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).