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

C17H19NO3 — CID 63378994

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc(CNC2COc3ccccc32)c(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-13-8-7-12(17(9-13)20-2)10-18-15-11-21-16-6-4-3-5-14(15)16/h3-9,15,18H,10-11H2,1-2H3
InChIKeyXIUCTJOSIOWQFM-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.93
Rot. Bonds5

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

N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 63378994) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID63378994
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1ccc(CNC2COc3ccccc32)c(OC)c1
InChIInChI=1S/C17H19NO3/c1-19-13-8-7-12(17(9-13)20-2)10-18-15-11-21-16-6-4-3-5-14(15)16/h3-9,15,18H,10-11H2,1-2H3
InChIKeyXIUCTJOSIOWQFM-UHFFFAOYSA-N
XLogP2.93
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine (CID 63378994) is N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine is COc1ccc(CNC2COc3ccccc32)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is XIUCTJOSIOWQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-13-8-7-12(17(9-13)20-2)10-18-15-11-21-16-6-4-3-5-14(15)16/h3-9,15,18H,10-11H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 285.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 63378994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).