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

C16H25NO — CID 63019719

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc2c(c1)COC2
InChIInChI=1S/C16H25NO/c1-5-17-15(9-16(2,3)4)12-6-7-13-10-18-11-14(13)8-12/h6-8,15,17H,5,9-11H2,1-4H3
InChIKeyOHCZRNUAGYEABZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.80
Rot. Bonds4

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

1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 63019719) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID63019719
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1ccc2c(c1)COC2
InChIInChI=1S/C16H25NO/c1-5-17-15(9-16(2,3)4)12-6-7-13-10-18-11-14(13)8-12/h6-8,15,17H,5,9-11H2,1-4H3
InChIKeyOHCZRNUAGYEABZ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63020070
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63020068
1-(1,3-dihydro-2-benzofuran-5-yl)propylhydrazine
CID 105281849
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019891
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydro-2-benzofuran
CID 55198813
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
N-[1,3-dihydro-2-benzofuran-5-yl-(3-methoxyphenyl)methyl]ethanamine
CID 63019538

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine (CID 63019719) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is OHCZRNUAGYEABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-17-15(9-16(2,3)4)12-6-7-13-10-18-11-14(13)8-12/h6-8,15,17H,5,9-11H2,1-4H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 63019719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).