N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine

C17H20N2O — CID 63378811

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCN(C)c1ccc(CNC2COc3ccccc32)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)14-9-7-13(8-10-14)11-18-16-12-20-17-6-4-3-5-15(16)17/h3-10,16,18H,11-12H2,1-2H3
InChIKeyWGNNBJOPOHYONN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.98
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine

N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63378811) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63378811
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCN(C)c1ccc(CNC2COc3ccccc32)cc1
InChIInChI=1S/C17H20N2O/c1-19(2)14-9-7-13(8-10-14)11-18-16-12-20-17-6-4-3-5-15(16)17/h3-10,16,18H,11-12H2,1-2H3
InChIKeyWGNNBJOPOHYONN-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine (CID 63378811) is N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine is CN(C)c1ccc(CNC2COc3ccccc32)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is WGNNBJOPOHYONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(2)14-9-7-13(8-10-14)11-18-16-12-20-17-6-4-3-5-15(16)17/h3-10,16,18H,11-12H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 268.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63378811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).