N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine

C17H18ClNO — CID 104843107

IUPACN-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(cc(Cl)c3ccccc32)c1CC
InChIInChI=1S/C17H18ClNO/c1-3-11-14-9-15(18)12-7-5-6-8-13(12)17(14)20-16(11)10-19-4-2/h5-9,19H,3-4,10H2,1-2H3
InChIKeyZPTLCYBJRYHCKY-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.91
Rot. Bonds4

About N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine

N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine (PubChem CID 104843107) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine
PubChem CID104843107
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(cc(Cl)c3ccccc32)c1CC
InChIInChI=1S/C17H18ClNO/c1-3-11-14-9-15(18)12-7-5-6-8-13(12)17(14)20-16(11)10-19-4-2/h5-9,19H,3-4,10H2,1-2H3
InChIKeyZPTLCYBJRYHCKY-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-3-ethyl-7-fluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 114267988
N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine
CID 104842836
N-[(4-bromo-7-chloro-3-ethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 113459863
N-[(7-chloro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81047321
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104842849
N-[[3-(4-chloronaphthalen-1-yl)furan-2-yl]methyl]ethanamine
CID 106888958
N-[[5-bromo-7-chloro-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376053
5-chloro-3-(2-methylpropyl)benzo[g][1]benzofuran-2-carboxylic acid
CID 114359106
N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843086
N-[(6-chloro-3-ethyl-7-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 116691518
N-[(4,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 104842966

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine (CID 104843107) is N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2c(cc(Cl)c3ccccc32)c1CC.
What is the InChIKey of N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine?
The InChIKey is ZPTLCYBJRYHCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-3-11-14-9-15(18)12-7-5-6-8-13(12)17(14)20-16(11)10-19-4-2/h5-9,19H,3-4,10H2,1-2H3.
What are the key properties of N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine?
N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine has a molecular weight of 287.79 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 104843107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).