3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine

C17H25NO — CID 166892377

IUPAC3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)(c1ccc2occc2c1)C(C)NCC
InChIInChI=1S/C17H25NO/c1-5-10-17(4,13(3)18-6-2)15-7-8-16-14(12-15)9-11-19-16/h7-9,11-13,18H,5-6,10H2,1-4H3
InChIKeyDDYZJOKUGIURDU-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.49
Rot. Bonds6

About 3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine

3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine (PubChem CID 166892377) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine.

Molecular Properties

Compound Name3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine
PubChem CID166892377
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)(c1ccc2occc2c1)C(C)NCC
InChIInChI=1S/C17H25NO/c1-5-10-17(4,13(3)18-6-2)15-7-8-16-14(12-15)9-11-19-16/h7-9,11-13,18H,5-6,10H2,1-4H3
InChIKeyDDYZJOKUGIURDU-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)
CID 168924316
3-(1-benzofuran-5-yl)-4,4,4-trichloro-2-(ethylamino)-3-methylbutan-1-ol
CID 166892759
3-(1-benzofuran-5-yl)-2-(ethylamino)heptane-1,3-diol
CID 163422710
2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine
CID 168924156
3-(1-benzofuran-5-yl)-3-fluoro-N-methylpentan-2-amine
CID 163640119
3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine
CID 166892409
3-(1-benzofuran-5-yl)-4,4-dichloro-2-(ethylamino)butane-1,3-diol
CID 163660314
3-(1-benzofuran-5-yl)-4-chloro-3-methyl-2-(methylamino)butan-1-ol
CID 166892730
3-(1-benzofuran-5-yl)-N-ethylhexan-2-amine
CID 166892612
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
2-(1-benzofuran-5-yl)-1,1-dichloro-3-(methylamino)butan-2-ol
CID 166892525
3-(1-benzofuran-5-yl)-2-(ethylamino)propan-1-ol
CID 163688101

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine?
The IUPAC name of 3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine (CID 166892377) is 3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine.
What is the SMILES notation for 3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine?
The canonical SMILES for 3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine is CCCC(C)(c1ccc2occc2c1)C(C)NCC.
What is the InChIKey of 3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine?
The InChIKey is DDYZJOKUGIURDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-10-17(4,13(3)18-6-2)15-7-8-16-14(12-15)9-11-19-16/h7-9,11-13,18H,5-6,10H2,1-4H3.
What are the key properties of 3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine?
3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 4.49, 6 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)-N-ethyl-3-methylhexan-2-amine is sourced from PubChem (CID 166892377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).