3-[(dimethylamino)methyl]-1-benzofuran-4-amine

C11H14N2O — CID 117170261

IUPAC3-[(dimethylamino)methyl]-1-benzofuran-4-amine
SMILESCN(C)Cc1coc2cccc(N)c12
InChIInChI=1S/C11H14N2O/c1-13(2)6-8-7-14-10-5-3-4-9(12)11(8)10/h3-5,7H,6,12H2,1-2H3
InChIKeyUCHKDNLIYZDIGS-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.08
Rot. Bonds2

About 3-[(dimethylamino)methyl]-1-benzofuran-4-amine

3-[(dimethylamino)methyl]-1-benzofuran-4-amine (PubChem CID 117170261) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-benzofuran-4-amine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-benzofuran-4-amine
PubChem CID117170261
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-[(dimethylamino)methyl]-1-benzofuran-4-amine
SMILESCN(C)Cc1coc2cccc(N)c12
InChIInChI=1S/C11H14N2O/c1-13(2)6-8-7-14-10-5-3-4-9(12)11(8)10/h3-5,7H,6,12H2,1-2H3
InChIKeyUCHKDNLIYZDIGS-UHFFFAOYSA-N
XLogP2.08
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 117170265
3-(phenoxymethyl)-1-benzofuran-4-amine
CID 117170323
4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
CID 117170417
3-[(4-bromophenoxy)methyl]-1-benzofuran-4-amine
CID 117170407
3-[(dimethylamino)methyl]-1-benzofuran-5-amine
CID 84662693
3-[2-(dimethylamino)ethyl]-1-benzofuran-4-ol
CID 167469231
3-(pyridin-3-yloxymethyl)-1-benzofuran-4-amine
CID 117170427
3-[(dimethylamino)methyl]-1-ethylindol-4-amine
CID 117171719
4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline
CID 117041671
1-(6-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 117177542
N-(1-benzofuran-3-ylmethyl)-3-[(dimethylamino)methyl]aniline
CID 80700341
1-[3-[(dimethylamino)methyl]-2-methylselanylphenyl]-N,N-dimethylmethanamine
CID 11832995

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-benzofuran-4-amine?
The IUPAC name of 3-[(dimethylamino)methyl]-1-benzofuran-4-amine (CID 117170261) is 3-[(dimethylamino)methyl]-1-benzofuran-4-amine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-benzofuran-4-amine?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-benzofuran-4-amine is CN(C)Cc1coc2cccc(N)c12.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-benzofuran-4-amine?
The InChIKey is UCHKDNLIYZDIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13(2)6-8-7-14-10-5-3-4-9(12)11(8)10/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-benzofuran-4-amine?
3-[(dimethylamino)methyl]-1-benzofuran-4-amine has a molecular weight of 190.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-1-benzofuran-4-amine is sourced from PubChem (CID 117170261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).