2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile

C17H19N3 — CID 102623968

IUPAC2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile
SMILESCCN(c1cccc(C)c1)c1ccc(N)c(CC#N)c1
InChIInChI=1S/C17H19N3/c1-3-20(15-6-4-5-13(2)11-15)16-7-8-17(19)14(12-16)9-10-18/h4-8,11-12H,3,9,19H2,1-2H3
InChIKeyVRPQVYKSVHXRNY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.80
Rot. Bonds4

About 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile

2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile (PubChem CID 102623968) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile
PubChem CID102623968
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile
SMILESCCN(c1cccc(C)c1)c1ccc(N)c(CC#N)c1
InChIInChI=1S/C17H19N3/c1-3-20(15-6-4-5-13(2)11-15)16-7-8-17(19)14(12-16)9-10-18/h4-8,11-12H,3,9,19H2,1-2H3
InChIKeyVRPQVYKSVHXRNY-UHFFFAOYSA-N
XLogP3.80
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-[ethyl(2-ethylbutyl)amino]phenyl]acetonitrile
CID 102623926
2-amino-3-(N-ethyl-3-methylanilino)benzonitrile
CID 104716397
2-[2-amino-5-[ethyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
CID 102624019
2-[2-amino-5-[methoxy(methyl)amino]phenyl]acetonitrile
CID 102623942
4-N-ethyl-4-N-(3-methylphenyl)pyridine-2,4-diamine
CID 113367563
2-amino-5-(N-ethyl-4-methylanilino)benzonitrile
CID 115499366
2-[2-amino-5-[benzyl(methyl)amino]phenyl]acetonitrile
CID 102623676
2-[2-amino-5-[ethyl(thiophen-2-ylmethyl)amino]phenyl]acetonitrile
CID 102624009
2-[3-(N-ethylanilino)phenyl]acetonitrile
CID 57015161
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
5-amino-2-(N-ethyl-3-methylanilino)pyridine-3-carbonitrile
CID 61076219
2-[2-amino-5-[methyl(pyridin-4-ylmethyl)amino]phenyl]acetonitrile
CID 102623899

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile (CID 102623968) is 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile is CCN(c1cccc(C)c1)c1ccc(N)c(CC#N)c1.
What is the InChIKey of 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile?
The InChIKey is VRPQVYKSVHXRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-20(15-6-4-5-13(2)11-15)16-7-8-17(19)14(12-16)9-10-18/h4-8,11-12H,3,9,19H2,1-2H3.
What are the key properties of 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile?
2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(N-ethyl-3-methylanilino)phenyl]acetonitrile is sourced from PubChem (CID 102623968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).