3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine

C16H15NO2 — CID 117181082

IUPAC3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine
SMILESCc1ccc(OCc2coc3c(N)cccc23)cc1
InChIInChI=1S/C16H15NO2/c1-11-5-7-13(8-6-11)18-9-12-10-19-16-14(12)3-2-4-15(16)17/h2-8,10H,9,17H2,1H3
InChIKeyAJRTYXVTRLLYTN-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.90
Rot. Bonds3

About 3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine

3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine (PubChem CID 117181082) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine.

Molecular Properties

Compound Name3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine
PubChem CID117181082
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine
SMILESCc1ccc(OCc2coc3c(N)cccc23)cc1
InChIInChI=1S/C16H15NO2/c1-11-5-7-13(8-6-11)18-9-12-10-19-16-14(12)3-2-4-15(16)17/h2-8,10H,9,17H2,1H3
InChIKeyAJRTYXVTRLLYTN-UHFFFAOYSA-N
XLogP3.90
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.90
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-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine?
The IUPAC name of 3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine (CID 117181082) is 3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine.
What is the SMILES notation for 3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine?
The canonical SMILES for 3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine is Cc1ccc(OCc2coc3c(N)cccc23)cc1.
What is the InChIKey of 3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine?
The InChIKey is AJRTYXVTRLLYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-5-7-13(8-6-11)18-9-12-10-19-16-14(12)3-2-4-15(16)17/h2-8,10H,9,17H2,1H3.
What are the key properties of 3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine?
3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine has a molecular weight of 253.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenoxy)methyl]-1-benzofuran-7-amine is sourced from PubChem (CID 117181082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).