1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile

C16H18N2O — CID 115242624

IUPAC1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CCc1coc2ccccc12)CC1(C#N)CC1
InChIInChI=1S/C16H18N2O/c1-18(12-16(11-17)7-8-16)9-6-13-10-19-15-5-3-2-4-14(13)15/h2-5,10H,6-9,12H2,1H3
InChIKeyDSRFUQGPXJKBBQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.21
Rot. Bonds5

About 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile

1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242624) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242624
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CCc1coc2ccccc12)CC1(C#N)CC1
InChIInChI=1S/C16H18N2O/c1-18(12-16(11-17)7-8-16)9-6-13-10-19-15-5-3-2-4-14(13)15/h2-5,10H,6-9,12H2,1H3
InChIKeyDSRFUQGPXJKBBQ-UHFFFAOYSA-N
XLogP3.21
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242596
1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile
CID 116929257
1-[[2-(1-benzofuran-3-yl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245466
1-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242583
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
CID 115120994
N-(1-benzofuran-3-ylmethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 141098379
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242577
1-[[methyl-[(1-methylindol-3-yl)methyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242386
N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
CID 115166767
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile (CID 115242624) is 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile is CN(CCc1coc2ccccc12)CC1(C#N)CC1.
What is the InChIKey of 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is DSRFUQGPXJKBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(12-16(11-17)7-8-16)9-6-13-10-19-15-5-3-2-4-14(13)15/h2-5,10H,6-9,12H2,1H3.
What are the key properties of 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile?
1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).