2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine

C16H15NO2 — CID 117175925

IUPAC2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
SMILESCc1cccc(OCc2cc3cc(N)ccc3o2)c1
InChIInChI=1S/C16H15NO2/c1-11-3-2-4-14(7-11)18-10-15-9-12-8-13(17)5-6-16(12)19-15/h2-9H,10,17H2,1H3
InChIKeyJPQIIDLLQDYFEG-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.90
Rot. Bonds3

About 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine

2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine (PubChem CID 117175925) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine.

Molecular Properties

Compound Name2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
PubChem CID117175925
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine
SMILESCc1cccc(OCc2cc3cc(N)ccc3o2)c1
InChIInChI=1S/C16H15NO2/c1-11-3-2-4-14(7-11)18-10-15-9-12-8-13(17)5-6-16(12)19-15/h2-9H,10,17H2,1H3
InChIKeyJPQIIDLLQDYFEG-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

5-chloro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117175928
2-[(3-methoxyphenoxy)methyl]-5-methyl-1-benzofuran
CID 117185258
7-methyl-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117186365
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
4-fluoro-2-[(3-methylphenoxy)methyl]-1-benzofuran
CID 117172308
3-[(3-methylphenoxy)methyl]-1-benzofuran-6-amine
CID 117177622
2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 117192249
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
2-methyl-5-[(3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 43477174
2-propyl-1-benzofuran-5-amine
CID 22132951
2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117180699

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine?
The IUPAC name of 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine (CID 117175925) is 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine.
What is the SMILES notation for 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine?
The canonical SMILES for 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine is Cc1cccc(OCc2cc3cc(N)ccc3o2)c1.
What is the InChIKey of 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine?
The InChIKey is JPQIIDLLQDYFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-3-2-4-14(7-11)18-10-15-9-12-8-13(17)5-6-16(12)19-15/h2-9H,10,17H2,1H3.
What are the key properties of 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine?
2-[(3-methylphenoxy)methyl]-1-benzofuran-5-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 2-[(3-methylphenoxy)methyl]-1-benzofuran-5-amine is sourced from PubChem (CID 117175925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).