N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine

C11H13NO3 — CID 82707164

IUPACN-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
SMILESCONCc1cc2cccc(OC)c2o1
InChIInChI=1S/C11H13NO3/c1-13-10-5-3-4-8-6-9(7-12-14-2)15-11(8)10/h3-6,12H,7H2,1-2H3
InChIKeySQGDZOTYBUQYCM-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.09
Rot. Bonds4

About N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine

N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 82707164) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID82707164
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
SMILESCONCc1cc2cccc(OC)c2o1
InChIInChI=1S/C11H13NO3/c1-13-10-5-3-4-8-6-9(7-12-14-2)15-11(8)10/h3-6,12H,7H2,1-2H3
InChIKeySQGDZOTYBUQYCM-UHFFFAOYSA-N
XLogP2.09
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696388
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
5-fluoro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 43764085
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
N-[(7-methoxy-1-benzofuran-2-yl)methyl]piperidin-1-amine
CID 83007192
3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 63843448
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
CID 19075968
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine (CID 82707164) is N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine is CONCc1cc2cccc(OC)c2o1.
What is the InChIKey of N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is SQGDZOTYBUQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-13-10-5-3-4-8-6-9(7-12-14-2)15-11(8)10/h3-6,12H,7H2,1-2H3.
What are the key properties of N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 207.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 82707164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).