1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine

C17H20N2O — CID 66416307

IUPAC1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
SMILESCCn1ccc(CNC(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C17H20N2O/c1-3-19-9-8-14(12-19)11-18-13(2)17-10-15-6-4-5-7-16(15)20-17/h4-10,12-13,18H,3,11H2,1-2H3
InChIKeyBGLOYODZUMCRAT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.11
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine

1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66416307) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
PubChem CID66416307
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
SMILESCCn1ccc(CNC(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C17H20N2O/c1-3-19-9-8-14(12-19)11-18-13(2)17-10-15-6-4-5-7-16(15)20-17/h4-10,12-13,18H,3,11H2,1-2H3
InChIKeyBGLOYODZUMCRAT-UHFFFAOYSA-N
XLogP4.11
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55387147
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
1-(1-benzofuran-2-yl)-N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 105401275
1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47009083
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
1-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)ethanamine
CID 43403744
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]aniline
CID 66387855
1-(1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722034
(1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 95575472
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromoprop-2-en-1-amine
CID 115717326
1-(1-benzofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578514

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine (CID 66416307) is 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine is CCn1ccc(CNC(C)c2cc3ccccc3o2)c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is BGLOYODZUMCRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-19-9-8-14(12-19)11-18-13(2)17-10-15-6-4-5-7-16(15)20-17/h4-10,12-13,18H,3,11H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine?
1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 268.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66416307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).