3-[(dimethylamino)methyl]-1-benzofuran-5-amine

C11H14N2O — CID 84662693

IUPAC3-[(dimethylamino)methyl]-1-benzofuran-5-amine
SMILESCN(C)Cc1coc2ccc(N)cc12
InChIInChI=1S/C11H14N2O/c1-13(2)6-8-7-14-11-4-3-9(12)5-10(8)11/h3-5,7H,6,12H2,1-2H3
InChIKeyHGOPNPVVUKHXHN-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.08
Rot. Bonds2

About 3-[(dimethylamino)methyl]-1-benzofuran-5-amine

3-[(dimethylamino)methyl]-1-benzofuran-5-amine (PubChem CID 84662693) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-1-benzofuran-5-amine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-1-benzofuran-5-amine
PubChem CID84662693
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-[(dimethylamino)methyl]-1-benzofuran-5-amine
SMILESCN(C)Cc1coc2ccc(N)cc12
InChIInChI=1S/C11H14N2O/c1-13(2)6-8-7-14-11-4-3-9(12)5-10(8)11/h3-5,7H,6,12H2,1-2H3
InChIKeyHGOPNPVVUKHXHN-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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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-1-benzofuran-5-amine?
The IUPAC name of 3-[(dimethylamino)methyl]-1-benzofuran-5-amine (CID 84662693) is 3-[(dimethylamino)methyl]-1-benzofuran-5-amine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-1-benzofuran-5-amine?
The canonical SMILES for 3-[(dimethylamino)methyl]-1-benzofuran-5-amine is CN(C)Cc1coc2ccc(N)cc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-1-benzofuran-5-amine?
The InChIKey is HGOPNPVVUKHXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13(2)6-8-7-14-11-4-3-9(12)5-10(8)11/h3-5,7H,6,12H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-1-benzofuran-5-amine?
3-[(dimethylamino)methyl]-1-benzofuran-5-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-5-amine is sourced from PubChem (CID 84662693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).