1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

C16H25NO2 — CID 116758114

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc2c(c1)CCO2)C(C)(CC)OC
InChIInChI=1S/C16H25NO2/c1-5-16(3,18-4)15(17-6-2)13-7-8-14-12(11-13)9-10-19-14/h7-8,11,15,17H,5-6,9-10H2,1-4H3
InChIKeyDQBGQUFYMLSLIE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (PubChem CID 116758114) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
PubChem CID116758114
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc2c(c1)CCO2)C(C)(CC)OC
InChIInChI=1S/C16H25NO2/c1-5-16(3,18-4)15(17-6-2)13-7-8-14-12(11-13)9-10-19-14/h7-8,11,15,17H,5-6,9-10H2,1-4H3
InChIKeyDQBGQUFYMLSLIE-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-2-methoxy-N-propylbutan-1-amine
CID 116761534
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 104542664
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105180141
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
CID 170188643
N-[2,3-dihydro-1-benzofuran-5-yl(phenyl)methyl]ethanamine
CID 43489842
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-ethoxyethyl)propan-1-amine
CID 43778443
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 113425129
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215845
1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethyl-N-propylbutan-1-amine
CID 43495473

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (CID 116758114) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is CCNC(c1ccc2c(c1)CCO2)C(C)(CC)OC.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The InChIKey is DQBGQUFYMLSLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-16(3,18-4)15(17-6-2)13-7-8-14-12(11-13)9-10-19-14/h7-8,11,15,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 116758114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).