2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile

C17H18N2O — CID 125454931

IUPAC2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile
SMILESCOCCNc1ccc(-c2ccc(C)cc2)cc1C#N
InChIInChI=1S/C17H18N2O/c1-13-3-5-14(6-4-13)15-7-8-17(16(11-15)12-18)19-9-10-20-2/h3-8,11,19H,9-10H2,1-2H3
InChIKeyYZPSUYCQMKDVAA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile

2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile (PubChem CID 125454931) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile
PubChem CID125454931
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile
SMILESCOCCNc1ccc(-c2ccc(C)cc2)cc1C#N
InChIInChI=1S/C17H18N2O/c1-13-3-5-14(6-4-13)15-7-8-17(16(11-15)12-18)19-9-10-20-2/h3-8,11,19H,9-10H2,1-2H3
InChIKeyYZPSUYCQMKDVAA-UHFFFAOYSA-N
XLogP3.59
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.59
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-(2-methoxyethylamino)-5-thiophen-2-ylbenzonitrile
CID 125453274
5-chloro-2-[2-(2-methoxyethoxy)ethylamino]benzonitrile
CID 62494859
5-fluoro-2-(3-methoxypropylamino)benzonitrile
CID 63674796
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922
2-(3-hydroxypropylamino)-5-methylbenzonitrile
CID 107927398
2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70047401
N-[2-(4-chloro-2-cyanoanilino)ethyl]-4-methylbenzamide
CID 133282125
2-bromo-N-(2-methoxyethyl)-5-methylaniline
CID 82757107
2-bromo-4-(2-methoxyethylamino)benzonitrile
CID 107275717
5-methyl-2-(5-methylhexylamino)benzonitrile
CID 107927694
N-[2-(2-cyano-4-methylanilino)ethyl]methanesulfonamide
CID 107927060
2-[(4-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107926880

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile?
The IUPAC name of 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile (CID 125454931) is 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile?
The canonical SMILES for 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile is COCCNc1ccc(-c2ccc(C)cc2)cc1C#N.
What is the InChIKey of 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile?
The InChIKey is YZPSUYCQMKDVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13-3-5-14(6-4-13)15-7-8-17(16(11-15)12-18)19-9-10-20-2/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile?
2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile is sourced from PubChem (CID 125454931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).