N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine

C18H28N2O — CID 62433185

IUPACN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCc1oc2ccccc2c1CN(C)C(C)C(C)C
InChIInChI=1S/C18H28N2O/c1-6-19-11-18-16(12-20(5)14(4)13(2)3)15-9-7-8-10-17(15)21-18/h7-10,13-14,19H,6,11-12H2,1-5H3
InChIKeyCIEIBPLGLXWVSE-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.02
Rot. Bonds7

About N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine

N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine (PubChem CID 62433185) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
PubChem CID62433185
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCc1oc2ccccc2c1CN(C)C(C)C(C)C
InChIInChI=1S/C18H28N2O/c1-6-19-11-18-16(12-20(5)14(4)13(2)3)15-9-7-8-10-17(15)21-18/h7-10,13-14,19H,6,11-12H2,1-5H3
InChIKeyCIEIBPLGLXWVSE-UHFFFAOYSA-N
XLogP4.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine (CID 62433185) is N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine is CCNCc1oc2ccccc2c1CN(C)C(C)C(C)C.
What is the InChIKey of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is CIEIBPLGLXWVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-19-11-18-16(12-20(5)14(4)13(2)3)15-9-7-8-10-17(15)21-18/h7-10,13-14,19H,6,11-12H2,1-5H3.
What are the key properties of N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine?
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 62433185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).