2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile

C15H22N2O2 — CID 115129677

IUPAC2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCOc1ccc(OC)c(CCN(C)C(C)(C)C#N)c1
InChIInChI=1S/C15H22N2O2/c1-15(2,11-16)17(3)9-8-12-10-13(18-4)6-7-14(12)19-5/h6-7,10H,8-9H2,1-5H3
InChIKeySRUIVFQEQZVFES-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile

2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile (PubChem CID 115129677) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
PubChem CID115129677
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
SMILESCOc1ccc(OC)c(CCN(C)C(C)(C)C#N)c1
InChIInChI=1S/C15H22N2O2/c1-15(2,11-16)17(3)9-8-12-10-13(18-4)6-7-14(12)19-5/h6-7,10H,8-9H2,1-5H3
InChIKeySRUIVFQEQZVFES-UHFFFAOYSA-N
XLogP2.48
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129680
2-(2,5-dimethoxyphenyl)ethyl-methylcyanamide
CID 117043452
2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129671
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642
N-(2-chloroethyl)-2-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 94272315
2-[2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129695
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
CID 82255120
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129698
2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129696
2-[(3-methoxyphenyl)methyl-methylamino]-2-methylpropanenitrile
CID 115129500

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile (CID 115129677) is 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile is COc1ccc(OC)c(CCN(C)C(C)(C)C#N)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
The InChIKey is SRUIVFQEQZVFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,11-16)17(3)9-8-12-10-13(18-4)6-7-14(12)19-5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile?
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile has a molecular weight of 262.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 115129677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).