4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline

C17H17NO3 — CID 43765976

IUPAC4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc3cccc(OC)c3o2)cc1
InChIInChI=1S/C17H17NO3/c1-19-14-8-6-13(7-9-14)18-11-15-10-12-4-3-5-16(20-2)17(12)21-15/h3-10,18H,11H2,1-2H3
InChIKeyWNAQLWWMPVCUNY-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.06
Rot. Bonds5

About 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline

4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline (PubChem CID 43765976) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
PubChem CID43765976
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc3cccc(OC)c3o2)cc1
InChIInChI=1S/C17H17NO3/c1-19-14-8-6-13(7-9-14)18-11-15-10-12-4-3-5-16(20-2)17(12)21-15/h3-10,18H,11H2,1-2H3
InChIKeyWNAQLWWMPVCUNY-UHFFFAOYSA-N
XLogP4.06
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-methylaniline
CID 62810217
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
CID 43776636
N-(1-benzofuran-2-ylmethyl)-4-methoxyaniline
CID 28619697
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 43764085
5-chloro-2-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43775971
2,5-dichloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43757157
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
CID 19075968
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696388

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline (CID 43765976) is 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline is COc1ccc(NCc2cc3cccc(OC)c3o2)cc1.
What is the InChIKey of 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline?
The InChIKey is WNAQLWWMPVCUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-19-14-8-6-13(7-9-14)18-11-15-10-12-4-3-5-16(20-2)17(12)21-15/h3-10,18H,11H2,1-2H3.
What are the key properties of 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline?
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline has a molecular weight of 283.33 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline is sourced from PubChem (CID 43765976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).