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

C16H25NO — CID 105053334

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1cccc2c1OCC2)C(C)(C)CC
InChIInChI=1S/C16H25NO/c1-5-16(3,4)15(17-6-2)13-9-7-8-12-10-11-18-14(12)13/h7-9,15,17H,5-6,10-11H2,1-4H3
InChIKeyLYPBPEMOEOYSLW-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine (PubChem CID 105053334) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
PubChem CID105053334
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
SMILESCCNC(c1cccc2c1OCC2)C(C)(C)CC
InChIInChI=1S/C16H25NO/c1-5-16(3,4)15(17-6-2)13-9-7-8-12-10-11-18-14(12)13/h7-9,15,17H,5-6,10-11H2,1-4H3
InChIKeyLYPBPEMOEOYSLW-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylbutyl]hydrazine
CID 105341923
1-(3,4-dihydro-2H-chromen-8-yl)-N,2-diethyl-2-methoxybutan-1-amine
CID 114746271
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
CID 114744941
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 114746240
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
CID 103448783
N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105053489
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
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)-N-ethyl-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine (CID 105053334) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine is CCNC(c1cccc2c1OCC2)C(C)(C)CC.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
The InChIKey is LYPBPEMOEOYSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-16(3,4)15(17-6-2)13-9-7-8-12-10-11-18-14(12)13/h7-9,15,17H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 105053334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).