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

C18H28N2O — CID 62424272

IUPAC2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1oc2ccccc2c1CNC(C)(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)20(6)12-17-15(11-19-18(3,4)5)14-9-7-8-10-16(14)21-17/h7-10,13,19H,11-12H2,1-6H3
InChIKeyPQUDSMBACSFPOB-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.16
Rot. Bonds5

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

2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine (PubChem CID 62424272) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
PubChem CID62424272
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1oc2ccccc2c1CNC(C)(C)C
InChIInChI=1S/C18H28N2O/c1-13(2)20(6)12-17-15(11-19-18(3,4)5)14-9-7-8-10-16(14)21-17/h7-10,13,19H,11-12H2,1-6H3
InChIKeyPQUDSMBACSFPOB-UHFFFAOYSA-N
XLogP4.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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

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Related Compounds

N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine
CID 62423547
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
CID 62425555
N-[[3-(diethylaminomethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62438293
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,2-dimethyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]butan-2-amine
CID 63964995
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987810
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
CID 62433002
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]-2-propan-2-yloxyethanamine
CID 81064362
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433185
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
CID 62424075

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine (CID 62424272) is 2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine is CC(C)N(C)Cc1oc2ccccc2c1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
The InChIKey is PQUDSMBACSFPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)20(6)12-17-15(11-19-18(3,4)5)14-9-7-8-10-16(14)21-17/h7-10,13,19H,11-12H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]-1-benzofuran-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62424272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).