4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine

C14H19F4NO — CID 104793850

IUPAC4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(OC)c1F)CC(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-3-7-19-11(9-14(16,17)18)8-10-5-4-6-12(20-2)13(10)15/h4-6,11,19H,3,7-9H2,1-2H3
InChIKeySSFGBWIGDAEVAO-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.70
Rot. Bonds7

About 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine

4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine (PubChem CID 104793850) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
PubChem CID104793850
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(OC)c1F)CC(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-3-7-19-11(9-14(16,17)18)8-10-5-4-6-12(20-2)13(10)15/h4-6,11,19H,3,7-9H2,1-2H3
InChIKeySSFGBWIGDAEVAO-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
1-(2-fluoro-3-methoxyphenyl)-5-methyl-N-propylhexan-2-amine
CID 104793861
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 104793996
1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105180625
5-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
CID 104795127
N-ethyl-1-(2-fluoro-3-methoxyphenyl)-3-methylsulfanylpropan-2-amine
CID 104793912
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
1-(2,6-dimethoxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 116810349
1-(2-fluoro-3-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 82811862
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
1-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 114855376
N-[2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105180698

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine (CID 104793850) is 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine is CCCNC(Cc1cccc(OC)c1F)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine?
The InChIKey is SSFGBWIGDAEVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-3-7-19-11(9-14(16,17)18)8-10-5-4-6-12(20-2)13(10)15/h4-6,11,19H,3,7-9H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine?
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine has a molecular weight of 293.30 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 104793850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).