N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine

C17H26N2O — CID 62438010

IUPACN-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1c(CNC)oc2ccccc12
InChIInChI=1S/C17H26N2O/c1-4-10-19(11-5-2)13-15-14-8-6-7-9-16(14)20-17(15)12-18-3/h6-9,18H,4-5,10-13H2,1-3H3
InChIKeyBDZJUBVHXPZEEQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.77
Rot. Bonds8

About N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine

N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine (PubChem CID 62438010) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
PubChem CID62438010
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1c(CNC)oc2ccccc12
InChIInChI=1S/C17H26N2O/c1-4-10-19(11-5-2)13-15-14-8-6-7-9-16(14)20-17(15)12-18-3/h6-9,18H,4-5,10-13H2,1-3H3
InChIKeyBDZJUBVHXPZEEQ-UHFFFAOYSA-N
XLogP3.77
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62421073
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62430238
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine
CID 62438385
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
CID 62433002
N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62438293
N-ethyl-N-[[3-[(propan-2-ylamino)methyl]-1-benzofuran-2-yl]methyl]propan-1-amine
CID 62421228
N-butyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 62431444
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
CID 62418759
2-[(dipropylamino)methyl]-1-benzofuran-3-carbohydrazide
CID 63569026
N,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
CID 63964995
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine (CID 62438010) is N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1c(CNC)oc2ccccc12.
What is the InChIKey of N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is BDZJUBVHXPZEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-10-19(11-5-2)13-15-14-8-6-7-9-16(14)20-17(15)12-18-3/h6-9,18H,4-5,10-13H2,1-3H3.
What are the key properties of N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine?
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 62438010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).