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

C15H22N2O — CID 115129696

IUPAC2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCCOc1ccc(CCN(C)C(C)(C)C#N)cc1
InChIInChI=1S/C15H22N2O/c1-5-18-14-8-6-13(7-9-14)10-11-17(4)15(2,3)12-16/h6-9H,5,10-11H2,1-4H3
InChIKeyBHQRYHWTSQUQTM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.86
Rot. Bonds6

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

2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile (PubChem CID 115129696) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
PubChem CID115129696
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCCOc1ccc(CCN(C)C(C)(C)C#N)cc1
InChIInChI=1S/C15H22N2O/c1-5-18-14-8-6-13(7-9-14)10-11-17(4)15(2,3)12-16/h6-9H,5,10-11H2,1-4H3
InChIKeyBHQRYHWTSQUQTM-UHFFFAOYSA-N
XLogP2.86
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129671
2-[2-(4-ethylsulfanylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129723
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650
2-methyl-2-[methyl(2-naphthalen-2-ylethyl)amino]propanenitrile
CID 115129759
1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222522
2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261268
N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
3-[(4-ethoxyphenyl)methyl-methylamino]-2,2-dimethylpropanenitrile
CID 115234114
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129677
3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120101
[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
CID 115243738
(4-ethoxyphenyl)-methylcyanamide
CID 117029387

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile (CID 115129696) is 2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile is CCOc1ccc(CCN(C)C(C)(C)C#N)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The InChIKey is BHQRYHWTSQUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-18-14-8-6-13(7-9-14)10-11-17(4)15(2,3)12-16/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile has a molecular weight of 246.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115129696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).