N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine

C14H19NO2 — CID 65440731

IUPACN-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2cc(OCC)ccc2o1
InChIInChI=1S/C14H19NO2/c1-3-7-15-10-13-9-11-8-12(16-4-2)5-6-14(11)17-13/h5-6,8-9,15H,3-4,7,10H2,1-2H3
InChIKeyJVBNQIFCVGBSKS-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.33
Rot. Bonds6

About N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 65440731) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID65440731
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2cc(OCC)ccc2o1
InChIInChI=1S/C14H19NO2/c1-3-7-15-10-13-9-11-8-12(16-4-2)5-6-14(11)17-13/h5-6,8-9,15H,3-4,7,10H2,1-2H3
InChIKeyJVBNQIFCVGBSKS-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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

1-(5-ethoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440345
N-[(5-phenylmethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65438802
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
5-ethoxy-1-benzofuran-2-carbaldehyde
CID 10559567
N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65440527
N-[(5-bromo-6-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 115410691
4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride
CID 115602867
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 63877651
2,6-diethoxyanthracene
CID 12651989

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine (CID 65440731) is N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNCc1cc2cc(OCC)ccc2o1.
What is the InChIKey of N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is JVBNQIFCVGBSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-7-15-10-13-9-11-8-12(16-4-2)5-6-14(11)17-13/h5-6,8-9,15H,3-4,7,10H2,1-2H3.
What are the key properties of N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 65440731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).