2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile

C13H18N2O — CID 82127377

IUPAC2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile
SMILESCCOc1cc(C)c(C(C)(N)C#N)cc1C
InChIInChI=1S/C13H18N2O/c1-5-16-12-7-9(2)11(6-10(12)3)13(4,15)8-14/h6-7H,5,15H2,1-4H3
InChIKeyCASSCOVXGNQZAR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.40
Rot. Bonds3

About 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile

2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile (PubChem CID 82127377) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile.

Molecular Properties

Compound Name2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile
PubChem CID82127377
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile
SMILESCCOc1cc(C)c(C(C)(N)C#N)cc1C
InChIInChI=1S/C13H18N2O/c1-5-16-12-7-9(2)11(6-10(12)3)13(4,15)8-14/h6-7H,5,15H2,1-4H3
InChIKeyCASSCOVXGNQZAR-UHFFFAOYSA-N
XLogP2.40
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-2,5-dimethylphenyl)-3-methylbutanoic acid
CID 82087443
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
2-(5-ethoxy-2-methoxy-4-methylphenyl)-2-methylpropan-1-ol
CID 117349596
2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
CID 82293238
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
2-amino-2-(2-methoxy-5-methylphenyl)propanenitrile
CID 16794194
1-(4-ethoxy-2,5-dimethylphenyl)butane-1,2-dione
CID 94686162
(4-ethoxy-2,5-dimethylphenyl)boronic acid
CID 44558120
2-cyano-N-(4-ethoxy-3-methylphenyl)-2-methylpropanamide
CID 47416651
5-(4-ethoxy-2,5-dimethylphenyl)pentanenitrile
CID 98014651

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile?
The IUPAC name of 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile (CID 82127377) is 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile.
What is the SMILES notation for 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile?
The canonical SMILES for 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile is CCOc1cc(C)c(C(C)(N)C#N)cc1C.
What is the InChIKey of 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile?
The InChIKey is CASSCOVXGNQZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-16-12-7-9(2)11(6-10(12)3)13(4,15)8-14/h6-7H,5,15H2,1-4H3.
What are the key properties of 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile?
2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile has a molecular weight of 218.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile is sourced from PubChem (CID 82127377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).