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

C15H23NO — CID 170188643

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(C)C(C)(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-5-16-11(2)15(3,4)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyXYBOGOYQFJDDFJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.90
Rot. Bonds4

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

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine (PubChem CID 170188643) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
PubChem CID170188643
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(C)C(C)(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H23NO/c1-5-16-11(2)15(3,4)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,16H,5,8-9H2,1-4H3
InChIKeyXYBOGOYQFJDDFJ-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758114
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
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-2-methylsulfonylpropan-1-amine
CID 104518585
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
2-(2,3-dihydro-1-benzofuran-5-yl)-4-(2-methylpropylamino)butan-2-ol
CID 104545017
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 83397414
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylhexan-1-amine
CID 115845362

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine (CID 170188643) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine is CCNC(C)C(C)(C)c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine?
The InChIKey is XYBOGOYQFJDDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-16-11(2)15(3,4)13-6-7-14-12(10-13)8-9-17-14/h6-7,10-11,16H,5,8-9H2,1-4H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-2-amine is sourced from PubChem (CID 170188643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).