N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine

C18H28N2O — CID 62438293

IUPACN-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)Cc1c(CNC(C)(C)C)oc2ccccc12
InChIInChI=1S/C18H28N2O/c1-6-20(7-2)13-15-14-10-8-9-11-16(14)21-17(15)12-19-18(3,4)5/h8-11,19H,6-7,12-13H2,1-5H3
InChIKeyIOKHTQVJGFKEKX-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.16
Rot. Bonds6

About N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62438293) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62438293
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)Cc1c(CNC(C)(C)C)oc2ccccc12
InChIInChI=1S/C18H28N2O/c1-6-20(7-2)13-15-14-10-8-9-11-16(14)21-17(15)12-19-18(3,4)5/h8-11,19H,6-7,12-13H2,1-5H3
InChIKeyIOKHTQVJGFKEKX-UHFFFAOYSA-N
XLogP4.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010
2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62424272
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279
N-[[3-(cyclobutyloxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62443187
N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62418335
4-(diethylaminomethyl)-3-hydroxychromen-2-one
CID 125486554
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62421228
N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
CID 63964995
N-ethyl-N-[[2-[(propan-2-ylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62422951

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62438293) is N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine is CCN(CC)Cc1c(CNC(C)(C)C)oc2ccccc12.
What is the InChIKey of N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IOKHTQVJGFKEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-20(7-2)13-15-14-10-8-9-11-16(14)21-17(15)12-19-18(3,4)5/h8-11,19H,6-7,12-13H2,1-5H3.
What are the key properties of N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62438293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).