N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine

C12H16N2O2 — CID 19886076

IUPACN'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1cccc2cc(CNCCN)oc12
InChIInChI=1S/C12H16N2O2/c1-15-11-4-2-3-9-7-10(16-12(9)11)8-14-6-5-13/h2-4,7,14H,5-6,8,13H2,1H3
InChIKeyGSQLGEWHWLZDKA-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.49
Rot. Bonds5

About N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine

N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 19886076) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID19886076
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1cccc2cc(CNCCN)oc12
InChIInChI=1S/C12H16N2O2/c1-15-11-4-2-3-9-7-10(16-12(9)11)8-14-6-5-13/h2-4,7,14H,5-6,8,13H2,1H3
InChIKeyGSQLGEWHWLZDKA-UHFFFAOYSA-N
XLogP1.49
TPSA60.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
4-[(7-methoxy-1-benzofuran-2-yl)methylamino]butanoic acid
CID 60782962
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603
N-[2-[(7-methoxy-1-benzofuran-2-yl)methylamino]ethyl]methanesulfonamide
CID 43771801
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]-N,N-dimethylpropanamide
CID 60925397
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
2-(3-fluorophenyl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 55410255
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396540
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665
2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 64988267

Frequently Asked Questions

What is the IUPAC name of N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine (CID 19886076) is N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine is COc1cccc2cc(CNCCN)oc12.
What is the InChIKey of N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is GSQLGEWHWLZDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-15-11-4-2-3-9-7-10(16-12(9)11)8-14-6-5-13/h2-4,7,14H,5-6,8,13H2,1H3.
What are the key properties of N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine?
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 220.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 19886076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).