N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine

C16H23NO2 — CID 103271001

IUPACN-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1coc2ccccc12)C(C)C
InChIInChI=1S/C16H23NO2/c1-4-18-11-15(12(2)3)17-9-13-10-19-16-8-6-5-7-14(13)16/h5-8,10,12,15,17H,4,9,11H2,1-3H3
InChIKeyQTYWLBWWLOSSPZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.58
Rot. Bonds7

About N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine

N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine (PubChem CID 103271001) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
PubChem CID103271001
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
SMILESCCOCC(NCc1coc2ccccc12)C(C)C
InChIInChI=1S/C16H23NO2/c1-4-18-11-15(12(2)3)17-9-13-10-19-16-8-6-5-7-14(13)16/h5-8,10,12,15,17H,4,9,11H2,1-3H3
InChIKeyQTYWLBWWLOSSPZ-UHFFFAOYSA-N
XLogP3.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
CID 107329660
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
N-(1-benzofuran-3-ylmethyl)-1-methoxypentan-2-amine
CID 80702779
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
1-ethoxy-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 103271155
methyl (2R,3S)-2-(1-benzofuran-3-ylmethylamino)-3-hydroxybutanoate
CID 99834996
methyl (2S,3S)-2-(1-benzofuran-3-ylmethylamino)-3-hydroxybutanoate
CID 99834994
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine (CID 103271001) is N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine is CCOCC(NCc1coc2ccccc12)C(C)C.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine?
The InChIKey is QTYWLBWWLOSSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-18-11-15(12(2)3)17-9-13-10-19-16-8-6-5-7-14(13)16/h5-8,10,12,15,17H,4,9,11H2,1-3H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine?
N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-ethoxy-3-methylbutan-2-amine is sourced from PubChem (CID 103271001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).