2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile

C16H24N2O — CID 65343975

IUPAC2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile
SMILESCOc1ccc(CN(CC(C)C)C(C)C)cc1C#N
InChIInChI=1S/C16H24N2O/c1-12(2)10-18(13(3)4)11-14-6-7-16(19-5)15(8-14)9-17/h6-8,12-13H,10-11H2,1-5H3
InChIKeyIVTJUCXPRCAYDV-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.43
Rot. Bonds6

About 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile

2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile (PubChem CID 65343975) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile
PubChem CID65343975
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile
SMILESCOc1ccc(CN(CC(C)C)C(C)C)cc1C#N
InChIInChI=1S/C16H24N2O/c1-12(2)10-18(13(3)4)11-14-6-7-16(19-5)15(8-14)9-17/h6-8,12-13H,10-11H2,1-5H3
InChIKeyIVTJUCXPRCAYDV-UHFFFAOYSA-N
XLogP3.43
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 65344446
2-methoxy-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]benzonitrile
CID 106788108
2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzonitrile
CID 106788163
2-methoxy-5-[[2-methoxyethyl(pentan-3-yl)amino]methyl]benzonitrile
CID 65344071
2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzenecarbothioamide
CID 65339643
5-(aminomethyl)-2-methoxybenzonitrile;hydrochloride
CID 71756830
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
4-[[2-cyanoethyl(2-methylpropyl)amino]methyl]-2-methoxybenzonitrile
CID 106787943
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
4-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 63885383
2-methoxy-5-(3-methylbutan-2-ylsulfanylmethyl)benzonitrile
CID 113285865
5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 65344165

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile (CID 65343975) is 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile is COc1ccc(CN(CC(C)C)C(C)C)cc1C#N.
What is the InChIKey of 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile?
The InChIKey is IVTJUCXPRCAYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)10-18(13(3)4)11-14-6-7-16(19-5)15(8-14)9-17/h6-8,12-13H,10-11H2,1-5H3.
What are the key properties of 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile?
2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile has a molecular weight of 260.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-methylpropyl(propan-2-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 65343975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).