1-(1-benzofuran-3-yl)-N,N-dimethylethanamine

C12H15NO — CID 116914687

IUPAC1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
SMILESCC(c1coc2ccccc12)N(C)C
InChIInChI=1S/C12H15NO/c1-9(13(2)3)11-8-14-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyGBUMRWZRJDOCFH-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.06
Rot. Bonds2

About 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine

1-(1-benzofuran-3-yl)-N,N-dimethylethanamine (PubChem CID 116914687) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
PubChem CID116914687
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
SMILESCC(c1coc2ccccc12)N(C)C
InChIInChI=1S/C12H15NO/c1-9(13(2)3)11-8-14-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyGBUMRWZRJDOCFH-UHFFFAOYSA-N
XLogP3.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914399
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
3-(1-benzofuran-3-yl)-3-(dimethylamino)propanenitrile
CID 116909994
3-benzhydryl-1-benzofuran
CID 53493031
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905955
1-(1-benzofuran-3-yl)-2-bromopropan-1-ol
CID 116863408
2-(1-benzofuran-3-yl)-3-methylbutanenitrile
CID 116964671
1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 116912315
1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905700
2-amino-2-(1-benzofuran-3-yl)-N-methylacetohydrazide
CID 116849007
1-benzofuran-3-yl(chloro)methanamine
CID 116947842

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine (CID 116914687) is 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine is CC(c1coc2ccccc12)N(C)C.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine?
The InChIKey is GBUMRWZRJDOCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(13(2)3)11-8-14-12-7-5-4-6-10(11)12/h4-9H,1-3H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine?
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine has a molecular weight of 189.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 116914687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).