2-(2-methoxyethylamino)-4-phenylbutanenitrile

C13H18N2O — CID 62880258

IUPAC2-(2-methoxyethylamino)-4-phenylbutanenitrile
SMILESCOCCNC(C#N)CCc1ccccc1
InChIInChI=1S/C13H18N2O/c1-16-10-9-15-13(11-14)8-7-12-5-3-2-4-6-12/h2-6,13,15H,7-10H2,1H3
InChIKeyUCYWEVNDXQXICL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.75
Rot. Bonds7

About 2-(2-methoxyethylamino)-4-phenylbutanenitrile

2-(2-methoxyethylamino)-4-phenylbutanenitrile (PubChem CID 62880258) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-4-phenylbutanenitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-4-phenylbutanenitrile
PubChem CID62880258
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2-methoxyethylamino)-4-phenylbutanenitrile
SMILESCOCCNC(C#N)CCc1ccccc1
InChIInChI=1S/C13H18N2O/c1-16-10-9-15-13(11-14)8-7-12-5-3-2-4-6-12/h2-6,13,15H,7-10H2,1H3
InChIKeyUCYWEVNDXQXICL-UHFFFAOYSA-N
XLogP1.75
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-4-phenylbutanenitrile
CID 134862726
4-phenyl-2-(prop-2-enylamino)butanenitrile
CID 62880086
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
2-(2-methoxyethylamino)octanenitrile
CID 62540992
4-ethylsulfanyl-2-(2-methoxyethylamino)butanenitrile
CID 116504313
2-methoxyethylbenzene
CID 19089
2-(4-chloroanilino)-4-phenylbutanenitrile
CID 55129359
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
CID 115705553
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
dimethyl 2-cyano-3-(2-phenylethyl)pentanedioate
CID 101233879
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-4-phenylbutanenitrile?
The IUPAC name of 2-(2-methoxyethylamino)-4-phenylbutanenitrile (CID 62880258) is 2-(2-methoxyethylamino)-4-phenylbutanenitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)-4-phenylbutanenitrile?
The canonical SMILES for 2-(2-methoxyethylamino)-4-phenylbutanenitrile is COCCNC(C#N)CCc1ccccc1.
What is the InChIKey of 2-(2-methoxyethylamino)-4-phenylbutanenitrile?
The InChIKey is UCYWEVNDXQXICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-16-10-9-15-13(11-14)8-7-12-5-3-2-4-6-12/h2-6,13,15H,7-10H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-4-phenylbutanenitrile?
2-(2-methoxyethylamino)-4-phenylbutanenitrile has a molecular weight of 218.30 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-4-phenylbutanenitrile is sourced from PubChem (CID 62880258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).