methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate

C24H21NO4 — CID 139560996

IUPACmethyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1cc(-c2cccc(CN)c2)c2occc2c1
InChIInChI=1S/C24H21NO4/c1-27-24(26)20-7-2-3-8-22(20)29-15-17-12-19-9-10-28-23(19)21(13-17)18-6-4-5-16(11-18)14-25/h2-13H,14-15,25H2,1H3
InChIKeySBBAAZDLUUEIAR-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.92
Rot. Bonds6

About methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate

methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate (PubChem CID 139560996) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate
PubChem CID139560996
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Namemethyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1cc(-c2cccc(CN)c2)c2occc2c1
InChIInChI=1S/C24H21NO4/c1-27-24(26)20-7-2-3-8-22(20)29-15-17-12-19-9-10-28-23(19)21(13-17)18-6-4-5-16(11-18)14-25/h2-13H,14-15,25H2,1H3
InChIKeySBBAAZDLUUEIAR-UHFFFAOYSA-N
XLogP4.92
TPSA74.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate with MolForge

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Related Compounds

2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4,5-dimethylphenyl]acetic acid
CID 139560861
2-[6-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-1-benzofuran-5-yl]acetic acid;ethane
CID 153350494
ethyl 2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-4-methylphenyl]acetate
CID 139560842
ethyl 2-[4-acetyl-2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 139560365
2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-5-cyclopropylphenyl]acetic acid
CID 139560613
[3-[5-[[(E)-but-2-en-2-yl]oxymethyl]-1-benzofuran-7-yl]phenyl]methanamine
CID 166942961
[3-[5-[[2-(aminomethyl)-6-ethylphenoxy]methyl]-1-benzofuran-7-yl]phenyl]methanamine;formic acid
CID 156725019
methyl 2-[4-(aminomethyl)-2-[[7-[2-(aminomethyl)-4-pyridinyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 153350266
2-[2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]-3-(furan-3-yl)phenyl]acetic acid
CID 139560835
2-[2-[[7-[3-(aminomethyl)phenyl]-2-(methoxymethyl)-1-benzofuran-5-yl]methoxy]phenyl]acetic acid
CID 139560496
methyl 2-[2-[[7-[3-(1-amino-2-methylpropyl)phenyl]-1-benzofuran-5-yl]methoxy]phenyl]acetate
CID 156724643
[3-[5-(cyclohexa-1,5-dien-1-yloxymethyl)-1-benzofuran-7-yl]phenyl]methanamine
CID 156724899

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate?
The IUPAC name of methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate (CID 139560996) is methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate.
What is the SMILES notation for methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate?
The canonical SMILES for methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate is COC(=O)c1ccccc1OCc1cc(-c2cccc(CN)c2)c2occc2c1.
What is the InChIKey of methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate?
The InChIKey is SBBAAZDLUUEIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-27-24(26)20-7-2-3-8-22(20)29-15-17-12-19-9-10-28-23(19)21(13-17)18-6-4-5-16(11-18)14-25/h2-13H,14-15,25H2,1H3.
What are the key properties of methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate?
methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate has a molecular weight of 387.44 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[7-[3-(aminomethyl)phenyl]-1-benzofuran-5-yl]methoxy]benzoate is sourced from PubChem (CID 139560996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).