4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine

C17H21N3O — CID 56816232

IUPAC4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1cc(CNCc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C17H21N3O/c1-20(2)17-10-14(5-7-19-17)12-18-11-13-3-4-16-15(9-13)6-8-21-16/h3-5,7,9-10,18H,6,8,11-12H2,1-2H3
InChIKeyDCNUBKBPJQRTOO-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.37
Rot. Bonds5

About 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine

4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 56816232) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine
PubChem CID56816232
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1cc(CNCc2ccc3c(c2)CCO3)ccn1
InChIInChI=1S/C17H21N3O/c1-20(2)17-10-14(5-7-19-17)12-18-11-13-3-4-16-15(9-13)6-8-21-16/h3-5,7,9-10,18H,6,8,11-12H2,1-2H3
InChIKeyDCNUBKBPJQRTOO-UHFFFAOYSA-N
XLogP2.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine (CID 56816232) is 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1cc(CNCc2ccc3c(c2)CCO3)ccn1.
What is the InChIKey of 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is DCNUBKBPJQRTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(2)17-10-14(5-7-19-17)12-18-11-13-3-4-16-15(9-13)6-8-21-16/h3-5,7,9-10,18H,6,8,11-12H2,1-2H3.
What are the key properties of 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine?
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 56816232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).