1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine

C18H29NO2 — CID 114746240

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(c1cccc2c1OCC2)C(OCC)C(C)(C)C
InChIInChI=1S/C18H29NO2/c1-6-19-15(17(20-7-2)18(3,4)5)14-10-8-9-13-11-12-21-16(13)14/h8-10,15,17,19H,6-7,11-12H2,1-5H3
InChIKeyPVDSNAVQWWZTPG-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.72
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine

1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 114746240) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID114746240
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(c1cccc2c1OCC2)C(OCC)C(C)(C)C
InChIInChI=1S/C18H29NO2/c1-6-19-15(17(20-7-2)18(3,4)5)14-10-8-9-13-11-12-21-16(13)14/h8-10,15,17,19H,6-7,11-12H2,1-5H3
InChIKeyPVDSNAVQWWZTPG-UHFFFAOYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxypropyl]hydrazine
CID 105223043
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
CID 114744941
N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105053489
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
1-(2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103029496
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
[1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylbutyl]hydrazine
CID 105341923
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[2,3-dihydro-1-benzofuran-7-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105053509
N-[(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 107985492

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine (CID 114746240) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(c1cccc2c1OCC2)C(OCC)C(C)(C)C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is PVDSNAVQWWZTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-19-15(17(20-7-2)18(3,4)5)14-10-8-9-13-11-12-21-16(13)14/h8-10,15,17,19H,6-7,11-12H2,1-5H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 291.43 g/mol, XLogP of 3.72, 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-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 114746240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).