4-amino-3-(2,5-dimethylanilino)benzonitrile

C15H15N3 — CID 104711457

IUPAC4-amino-3-(2,5-dimethylanilino)benzonitrile
SMILESCc1ccc(C)c(Nc2cc(C#N)ccc2N)c1
InChIInChI=1S/C15H15N3/c1-10-3-4-11(2)14(7-10)18-15-8-12(9-16)5-6-13(15)17/h3-8,18H,17H2,1-2H3
InChIKeySZCAKNIAJSKQOI-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.50
Rot. Bonds2

About 4-amino-3-(2,5-dimethylanilino)benzonitrile

4-amino-3-(2,5-dimethylanilino)benzonitrile (PubChem CID 104711457) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-amino-3-(2,5-dimethylanilino)benzonitrile.

Molecular Properties

Compound Name4-amino-3-(2,5-dimethylanilino)benzonitrile
PubChem CID104711457
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-amino-3-(2,5-dimethylanilino)benzonitrile
SMILESCc1ccc(C)c(Nc2cc(C#N)ccc2N)c1
InChIInChI=1S/C15H15N3/c1-10-3-4-11(2)14(7-10)18-15-8-12(9-16)5-6-13(15)17/h3-8,18H,17H2,1-2H3
InChIKeySZCAKNIAJSKQOI-UHFFFAOYSA-N
XLogP3.50
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-5-bromoanilino)-4-methylbenzonitrile
CID 65342835
4-amino-3-[2-methyl-5-(trifluoromethyl)anilino]benzonitrile
CID 104712103
4-amino-3-(5-cyano-2-methylanilino)-N-methylbenzamide
CID 63357613
4-amino-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]benzonitrile
CID 115127224
3-(2-amino-4-nitroanilino)-4-methylbenzonitrile
CID 62508466
4-amino-3-(4-bromo-3,5-dimethylanilino)benzonitrile
CID 107571393
4-amino-3-methylbenzonitrile
CID 7010316
4-methyl-2-N-(2-methyl-5-propan-2-ylphenyl)benzene-1,2-diamine
CID 115126227
3-[(3-amino-6-chloro-2-pyridinyl)amino]-4-methylbenzonitrile
CID 115474055
3-[(4-amino-5-methyl-2-pyridinyl)amino]-4-methylbenzonitrile
CID 83266542
4-(5-amino-2-methylanilino)benzonitrile
CID 62588662
3-[(5-aminopyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 79917359

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,5-dimethylanilino)benzonitrile?
The IUPAC name of 4-amino-3-(2,5-dimethylanilino)benzonitrile (CID 104711457) is 4-amino-3-(2,5-dimethylanilino)benzonitrile.
What is the SMILES notation for 4-amino-3-(2,5-dimethylanilino)benzonitrile?
The canonical SMILES for 4-amino-3-(2,5-dimethylanilino)benzonitrile is Cc1ccc(C)c(Nc2cc(C#N)ccc2N)c1.
What is the InChIKey of 4-amino-3-(2,5-dimethylanilino)benzonitrile?
The InChIKey is SZCAKNIAJSKQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-10-3-4-11(2)14(7-10)18-15-8-12(9-16)5-6-13(15)17/h3-8,18H,17H2,1-2H3.
What are the key properties of 4-amino-3-(2,5-dimethylanilino)benzonitrile?
4-amino-3-(2,5-dimethylanilino)benzonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,5-dimethylanilino)benzonitrile is sourced from PubChem (CID 104711457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).