2-[2-(4-methoxyphenyl)ethylamino]acetonitrile

C11H14N2O — CID 28574147

IUPAC2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
SMILESCOc1ccc(CCNCC#N)cc1
InChIInChI=1S/C11H14N2O/c1-14-11-4-2-10(3-5-11)6-8-13-9-7-12/h2-5,13H,6,8-9H2,1H3
InChIKeyIWAMDWGNBWBXKA-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.35
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile

2-[2-(4-methoxyphenyl)ethylamino]acetonitrile (PubChem CID 28574147) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
PubChem CID28574147
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]acetonitrile
SMILESCOc1ccc(CCNCC#N)cc1
InChIInChI=1S/C11H14N2O/c1-14-11-4-2-10(3-5-11)6-8-13-9-7-12/h2-5,13H,6,8-9H2,1H3
InChIKeyIWAMDWGNBWBXKA-UHFFFAOYSA-N
XLogP1.35
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-methoxyphenyl)ethylamino]propanenitrile
CID 43082695
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
N-(2-bromoethyl)-2-(4-methoxyphenyl)ethanamine
CID 114505272
N'-[2-(4-methoxyphenyl)ethyl]-N-[2-(4-methylphenyl)ethyl]ethane-1,2-diamine
CID 23394676
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
1-(2-cyanoethyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902041
2-fluoro-5-[[2-(4-methoxyphenyl)ethylamino]methyl]benzonitrile
CID 107880030
N-(2-ethoxyethyl)-2-(4-methoxyphenyl)ethanamine
CID 43387940
N-[[4-(chloromethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 107232979
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
2-[2-(4-ethylsulfanylphenyl)ethylamino]acetonitrile
CID 115131259
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile (CID 28574147) is 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile is COc1ccc(CCNCC#N)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile?
The InChIKey is IWAMDWGNBWBXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-14-11-4-2-10(3-5-11)6-8-13-9-7-12/h2-5,13H,6,8-9H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile?
2-[2-(4-methoxyphenyl)ethylamino]acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]acetonitrile is sourced from PubChem (CID 28574147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).