N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine

C16H24N2O — CID 62420512

IUPACN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
SMILESCCC(C)N(CC)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C16H24N2O/c1-4-12(3)18(5-2)11-14-13-8-6-7-9-15(13)19-16(14)10-17/h6-9,12H,4-5,10-11,17H2,1-3H3
InChIKeyDPWFMQBEYISPQC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.51
Rot. Bonds6

About N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine (PubChem CID 62420512) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
PubChem CID62420512
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
SMILESCCC(C)N(CC)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C16H24N2O/c1-4-12(3)18(5-2)11-14-13-8-6-7-9-15(13)19-16(14)10-17/h6-9,12H,4-5,10-11,17H2,1-3H3
InChIKeyDPWFMQBEYISPQC-UHFFFAOYSA-N
XLogP3.51
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine (CID 62420512) is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine is CCC(C)N(CC)Cc1c(CN)oc2ccccc12.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine?
The InChIKey is DPWFMQBEYISPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-4-12(3)18(5-2)11-14-13-8-6-7-9-15(13)19-16(14)10-17/h6-9,12H,4-5,10-11,17H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine?
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine is sourced from PubChem (CID 62420512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).