3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine

C14H16F3NO — CID 166892409

IUPAC3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine
SMILESCNC(C)C(C)(c1ccc2occc2c1)C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-9(18-3)13(2,14(15,16)17)11-4-5-12-10(8-11)6-7-19-12/h4-9,18H,1-3H3
InChIKeyFZGUDRYZVOOAEC-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.86
Rot. Bonds3

About 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine

3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine (PubChem CID 166892409) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine
PubChem CID166892409
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine
SMILESCNC(C)C(C)(c1ccc2occc2c1)C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-9(18-3)13(2,14(15,16)17)11-4-5-12-10(8-11)6-7-19-12/h4-9,18H,1-3H3
InChIKeyFZGUDRYZVOOAEC-UHFFFAOYSA-N
XLogP3.86
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzofuran-5-yl)-3-fluoro-N-methylpentan-2-amine
CID 163640119
2-(1-benzofuran-5-yl)-1,1-dichloro-3-(methylamino)butan-2-ol
CID 166892525
2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine
CID 168924203
3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 166892377
3-(1-benzofuran-5-yl)-2-(methylamino)heptan-3-ol;2-(1-benzofuran-5-yl)-1,1,1-trichloro-3-(methylamino)butan-2-ol;fluoromethane
CID 168926057
3-(1-benzofuran-5-yl)-4-chloro-3-methyl-2-(methylamino)butan-1-ol
CID 166892730
2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine
CID 168924156
3-(1-benzofuran-5-yl)-4,4,4-trichloro-2-(ethylamino)-3-methylbutan-1-ol
CID 166892759
3-(1-benzofuran-6-yl)-3,4,4-trifluoro-2-(methylamino)butan-1-ol
CID 166892359
2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine
CID 83835621
1-(1-benzofuran-5-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 169069289
3-(1-benzofuran-6-yl)-3-methyl-2-(methylamino)butan-1-ol
CID 168924273

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine?
The IUPAC name of 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine (CID 166892409) is 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine?
The canonical SMILES for 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine is CNC(C)C(C)(c1ccc2occc2c1)C(F)(F)F.
What is the InChIKey of 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine?
The InChIKey is FZGUDRYZVOOAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-9(18-3)13(2,14(15,16)17)11-4-5-12-10(8-11)6-7-19-12/h4-9,18H,1-3H3.
What are the key properties of 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine?
3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine has a molecular weight of 271.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 166892409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).