2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline

C17H18N2O — CID 66387855

IUPAC2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
SMILESCC(NCc1ccccc1N)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O/c1-12(19-11-14-7-2-4-8-15(14)18)17-10-13-6-3-5-9-16(13)20-17/h2-10,12,19H,11,18H2,1H3
InChIKeyAPAOWLJMDHQLHN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.87
Rot. Bonds4

About 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline

2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline (PubChem CID 66387855) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
PubChem CID66387855
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
SMILESCC(NCc1ccccc1N)c1cc2ccccc2o1
InChIInChI=1S/C17H18N2O/c1-12(19-11-14-7-2-4-8-15(14)18)17-10-13-6-3-5-9-16(13)20-17/h2-10,12,19H,11,18H2,1H3
InChIKeyAPAOWLJMDHQLHN-UHFFFAOYSA-N
XLogP3.87
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
2-[2-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]methyl]phenoxy]ethanol
CID 97232707
1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 115761517
1-(1-benzofuran-2-yl)-N-[(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114750476
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514
1-(1-benzofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 82733301
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43203173
1-(1-benzofuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 43224186
1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66416307
1-(1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722034

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline?
The IUPAC name of 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline (CID 66387855) is 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline.
What is the SMILES notation for 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline?
The canonical SMILES for 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline is CC(NCc1ccccc1N)c1cc2ccccc2o1.
What is the InChIKey of 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline?
The InChIKey is APAOWLJMDHQLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(19-11-14-7-2-4-8-15(14)18)17-10-13-6-3-5-9-16(13)20-17/h2-10,12,19H,11,18H2,1H3.
What are the key properties of 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline?
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline has a molecular weight of 266.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline is sourced from PubChem (CID 66387855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).