3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine

C16H15NO2 — CID 117177622

IUPAC3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine
SMILESCc1cccc(OCc2coc3cc(N)ccc23)c1
InChIInChI=1S/C16H15NO2/c1-11-3-2-4-14(7-11)18-9-12-10-19-16-8-13(17)5-6-15(12)16/h2-8,10H,9,17H2,1H3
InChIKeyJKMWMQZCKOSQDR-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.90
Rot. Bonds3

About 3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine

3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine (PubChem CID 117177622) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine.

Molecular Properties

Compound Name3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine
PubChem CID117177622
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine
SMILESCc1cccc(OCc2coc3cc(N)ccc23)c1
InChIInChI=1S/C16H15NO2/c1-11-3-2-4-14(7-11)18-9-12-10-19-16-8-13(17)5-6-15(12)16/h2-8,10H,9,17H2,1H3
InChIKeyJKMWMQZCKOSQDR-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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Related Compounds

4-[(3-methylphenoxy)methyl]aniline
CID 16789694
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
CID 117175925
3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117177645
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
6-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
CID 117185533
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
N'-[2-(3-fluorophenoxy)acetyl]-2-(6-methyl-1-benzofuran-3-yl)acetohydrazide
CID 4544204
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26980149

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine?
The IUPAC name of 3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine (CID 117177622) is 3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine.
What is the SMILES notation for 3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine?
The canonical SMILES for 3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine is Cc1cccc(OCc2coc3cc(N)ccc23)c1.
What is the InChIKey of 3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine?
The InChIKey is JKMWMQZCKOSQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-3-2-4-14(7-11)18-9-12-10-19-16-8-13(17)5-6-15(12)16/h2-8,10H,9,17H2,1H3.
What are the key properties of 3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine?
3-[(3-methylphenoxy)methyl]-1-benzofuran-6-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-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine is sourced from PubChem (CID 117177622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).