3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile

C15H20N2O2 — CID 115349644

IUPAC3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile
SMILESCOc1cc2c(cc1CNCC(C)C#N)OC(C)C2
InChIInChI=1S/C15H20N2O2/c1-10(7-16)8-17-9-13-6-15-12(4-11(2)19-15)5-14(13)18-3/h5-6,10-11,17H,4,8-9H2,1-3H3
InChIKeyMHBHJROOJVKRGU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.27
Rot. Bonds5

About 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile

3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile (PubChem CID 115349644) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile
PubChem CID115349644
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile
SMILESCOc1cc2c(cc1CNCC(C)C#N)OC(C)C2
InChIInChI=1S/C15H20N2O2/c1-10(7-16)8-17-9-13-6-15-12(4-11(2)19-15)5-14(13)18-3/h5-6,10-11,17H,4,8-9H2,1-3H3
InChIKeyMHBHJROOJVKRGU-UHFFFAOYSA-N
XLogP2.27
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pent-3-yn-1-amine
CID 116643112
1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol
CID 78954759
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-3-amine
CID 78910481
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-2-amine
CID 78910436
(2S)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-3-methylbutan-1-ol
CID 79831437
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoic acid
CID 115349492
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2,2-dimethoxyethanamine
CID 60657411
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
CID 34539767
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 78942119

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile (CID 115349644) is 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile is COc1cc2c(cc1CNCC(C)C#N)OC(C)C2.
What is the InChIKey of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile?
The InChIKey is MHBHJROOJVKRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(7-16)8-17-9-13-6-15-12(4-11(2)19-15)5-14(13)18-3/h5-6,10-11,17H,4,8-9H2,1-3H3.
What are the key properties of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile?
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile has a molecular weight of 260.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115349644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).