3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile

C14H20N2O3 — CID 115231000

IUPAC3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile
SMILESCOc1cc(OC)c(CN(C)CCC#N)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-16(7-5-6-15)10-12-13(18-3)8-11(17-2)9-14(12)19-4/h8-9H,5,7,10H2,1-4H3
InChIKeySILXLPSLCIDZMK-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.06
Rot. Bonds7

About 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile

3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile (PubChem CID 115231000) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile
PubChem CID115231000
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile
SMILESCOc1cc(OC)c(CN(C)CCC#N)c(OC)c1
InChIInChI=1S/C14H20N2O3/c1-16(7-5-6-15)10-12-13(18-3)8-11(17-2)9-14(12)19-4/h8-9H,5,7,10H2,1-4H3
InChIKeySILXLPSLCIDZMK-UHFFFAOYSA-N
XLogP2.06
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 55103553
3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propanenitrile
CID 115230987
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 115230942
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl-methylamino]propanenitrile
CID 115230970
4-[(2-methoxy-4,6-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231844
2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]ethanethiol
CID 115224150
N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 146255660
3-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]propanenitrile
CID 115230986
4-[(2-methoxy-4,5-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231797
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
CID 115173226
3-[2-(2-methoxy-4,5-dimethylphenyl)ethyl-methylamino]propanenitrile
CID 115231209

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile (CID 115231000) is 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile is COc1cc(OC)c(CN(C)CCC#N)c(OC)c1.
What is the InChIKey of 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile?
The InChIKey is SILXLPSLCIDZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(7-5-6-15)10-12-13(18-3)8-11(17-2)9-14(12)19-4/h8-9H,5,7,10H2,1-4H3.
What are the key properties of 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile?
3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile has a molecular weight of 264.32 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile is sourced from PubChem (CID 115231000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).