N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine

C18H27NO2 — CID 114731389

IUPACN,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCNC(c1cc2cc(C)ccc2o1)C(CC)(CC)OC
InChIInChI=1S/C18H27NO2/c1-6-18(7-2,20-5)17(19-8-3)16-12-14-11-13(4)9-10-15(14)21-16/h9-12,17,19H,6-8H2,1-5H3
InChIKeyMZXIYOBYFZSDLK-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.60
Rot. Bonds7

About N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine

N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine (PubChem CID 114731389) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
PubChem CID114731389
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
SMILESCCNC(c1cc2cc(C)ccc2o1)C(CC)(CC)OC
InChIInChI=1S/C18H27NO2/c1-6-18(7-2,20-5)17(19-8-3)16-12-14-11-13(4)9-10-15(14)21-16/h9-12,17,19H,6-8H2,1-5H3
InChIKeyMZXIYOBYFZSDLK-UHFFFAOYSA-N
XLogP4.60
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-ol
CID 114727398
2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114728947
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
N,2-dimethyl-1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfonylpropan-1-amine
CID 105045248
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163930
N-[(5-methyl-1-benzofuran-2-yl)-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102841419
N-[7-bicyclo[4.1.0]heptanyl-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045128
N-[(2-iodophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045279
1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
CID 105158225
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
The IUPAC name of N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine (CID 114731389) is N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
The canonical SMILES for N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine is CCNC(c1cc2cc(C)ccc2o1)C(CC)(CC)OC.
What is the InChIKey of N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
The InChIKey is MZXIYOBYFZSDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-18(7-2,20-5)17(19-8-3)16-12-14-11-13(4)9-10-15(14)21-16/h9-12,17,19H,6-8H2,1-5H3.
What are the key properties of N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine?
N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-methoxy-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine is sourced from PubChem (CID 114731389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).