1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine

C14H20F3NO2 — CID 116810349

IUPAC1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1c(OC)cccc1OC
InChIInChI=1S/C14H20F3NO2/c1-4-8-18-10(9-14(15,16)17)13-11(19-2)6-5-7-12(13)20-3/h5-7,10,18H,4,8-9H2,1-3H3
InChIKeyBXLBETBIIUHQCH-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.70
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 116810349) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID116810349
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1c(OC)cccc1OC
InChIInChI=1S/C14H20F3NO2/c1-4-8-18-10(9-14(15,16)17)13-11(19-2)6-5-7-12(13)20-3/h5-7,10,18H,4,8-9H2,1-3H3
InChIKeyBXLBETBIIUHQCH-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
CID 106680472
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylpropan-1-amine
CID 116810352
N-[1-(2,6-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 116810465
1-(2,6-dimethoxyphenyl)-3-methoxy-N-propylbutan-1-amine
CID 116810739
N-[1-(2,6-dimethoxyphenyl)-2-methylsulfonylethyl]propan-1-amine
CID 105051943
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850
1-(2,6-dimethoxyphenyl)-N-propylhex-5-yn-1-amine
CID 105034069
N-[1-(2-fluoro-3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216049
N-[1-(2,6-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105015257
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(2-fluoro-6-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 104806958
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
CID 43625498

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 116810349) is 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is BXLBETBIIUHQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-4-8-18-10(9-14(15,16)17)13-11(19-2)6-5-7-12(13)20-3/h5-7,10,18H,4,8-9H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 291.31 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 116810349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).