N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine

C17H26N2O — CID 62418335

IUPACN-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCCNCc1oc2ccccc2c1CN(CC)C(C)C
InChIInChI=1S/C17H26N2O/c1-5-18-11-17-15(12-19(6-2)13(3)4)14-9-7-8-10-16(14)20-17/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyHGHPFLJVQSIFIU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.77
Rot. Bonds7

About N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine

N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine (PubChem CID 62418335) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
PubChem CID62418335
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCCNCc1oc2ccccc2c1CN(CC)C(C)C
InChIInChI=1S/C17H26N2O/c1-5-18-11-17-15(12-19(6-2)13(3)4)14-9-7-8-10-16(14)20-17/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyHGHPFLJVQSIFIU-UHFFFAOYSA-N
XLogP3.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433185
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62421073
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422585
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 115987741
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420512
2-[[ethyl(propan-2-yl)amino]methyl]-1-benzofuran-3-carbohydrazide
CID 63571943
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63009384
1-cyclopropyl-N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-N-methylethanamine
CID 62434140
2-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62448586
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62417778
N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62438293

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine?
The IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine (CID 62418335) is N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine is CCNCc1oc2ccccc2c1CN(CC)C(C)C.
What is the InChIKey of N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine?
The InChIKey is HGHPFLJVQSIFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-18-11-17-15(12-19(6-2)13(3)4)14-9-7-8-10-16(14)20-17/h7-10,13,18H,5-6,11-12H2,1-4H3.
What are the key properties of N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine?
N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine has a molecular weight of 274.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62418335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).