2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile

C14H20N2O — CID 115129671

IUPAC2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCOc1ccc(CCN(C)C(C)(C)C#N)cc1
InChIInChI=1S/C14H20N2O/c1-14(2,11-15)16(3)10-9-12-5-7-13(17-4)8-6-12/h5-8H,9-10H2,1-4H3
InChIKeyNRRZFOBMUUIDEK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.47
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile

2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile (PubChem CID 115129671) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
PubChem CID115129671
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCOc1ccc(CCN(C)C(C)(C)C#N)cc1
InChIInChI=1S/C14H20N2O/c1-14(2,11-15)16(3)10-9-12-5-7-13(17-4)8-6-12/h5-8H,9-10H2,1-4H3
InChIKeyNRRZFOBMUUIDEK-UHFFFAOYSA-N
XLogP2.47
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129696
2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129670
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile
CID 115129759
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650
2-[2-(4-ethylsulfanylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129723
2-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254684
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129680
2-[(3-methoxyphenyl)methyl-methylamino]-2-methylpropanenitrile
CID 115129500
1-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245491
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129695
2-[2-(4-methoxyphenyl)ethyl-methylamino]pyrimidine-4-carbonitrile
CID 163348210

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile (CID 115129671) is 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile is COc1ccc(CCN(C)C(C)(C)C#N)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The InChIKey is NRRZFOBMUUIDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,11-15)16(3)10-9-12-5-7-13(17-4)8-6-12/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115129671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).