N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine

C14H19NO2 — CID 70555736

IUPACN-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cc2cccc(OC)c2o1
InChIInChI=1S/C14H19NO2/c1-3-8-15-9-7-12-10-11-5-4-6-13(16-2)14(11)17-12/h4-6,10,15H,3,7-9H2,1-2H3
InChIKeyOEPAEXPXWWCQRW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.98
Rot. Bonds6

About N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine

N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 70555736) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID70555736
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1cc2cccc(OC)c2o1
InChIInChI=1S/C14H19NO2/c1-3-8-15-9-7-12-10-11-5-4-6-13(16-2)14(11)17-12/h4-6,10,15H,3,7-9H2,1-2H3
InChIKeyOEPAEXPXWWCQRW-UHFFFAOYSA-N
XLogP2.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
2-(7-methoxy-1-benzofuran-2-yl)ethanamine
CID 66592603
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329
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
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]pentan-2-ol
CID 115623289
2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
CID 19075968
2-(1H-imidazol-5-yl)-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 64988267
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61211468
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 70555736) is N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNCCc1cc2cccc(OC)c2o1.
What is the InChIKey of N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is OEPAEXPXWWCQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-8-15-9-7-12-10-11-5-4-6-13(16-2)14(11)17-12/h4-6,10,15H,3,7-9H2,1-2H3.
What are the key properties of N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 70555736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).