2-[4-(4-aminoanilino)phenyl]acetonitrile

C14H13N3 — CID 62302194

IUPAC2-[4-(4-aminoanilino)phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H13N3/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14/h1-8,17H,9,16H2
InChIKeyJSITYESESIDVKX-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.08
Rot. Bonds3

About 2-[4-(4-aminoanilino)phenyl]acetonitrile

2-[4-(4-aminoanilino)phenyl]acetonitrile (PubChem CID 62302194) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[4-(4-aminoanilino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-aminoanilino)phenyl]acetonitrile
PubChem CID62302194
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-[4-(4-aminoanilino)phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2ccc(N)cc2)cc1
InChIInChI=1S/C14H13N3/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14/h1-8,17H,9,16H2
InChIKeyJSITYESESIDVKX-UHFFFAOYSA-N
XLogP3.08
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
2-[4-(4-fluoroanilino)phenyl]acetonitrile
CID 82537219
2-[4-[(5-aminopyrimidin-2-yl)amino]phenyl]acetonitrile
CID 62303544
2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile
CID 62589616
4-amino-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 62057983
2-[4-[4-(dimethylamino)anilino]phenyl]acetonitrile
CID 82536552
4-N-(4-aminophenyl)benzene-1,4-diamine
CID 10841
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853
3-amino-2-[4-(cyanomethyl)anilino]pyridine-4-carbonitrile
CID 82817545
2-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]acetonitrile
CID 64589511
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
2-[4-[(2-amino-5-bromopyrimidin-4-yl)amino]phenyl]acetonitrile
CID 80821946

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminoanilino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(4-aminoanilino)phenyl]acetonitrile (CID 62302194) is 2-[4-(4-aminoanilino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(4-aminoanilino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(4-aminoanilino)phenyl]acetonitrile is N#CCc1ccc(Nc2ccc(N)cc2)cc1.
What is the InChIKey of 2-[4-(4-aminoanilino)phenyl]acetonitrile?
The InChIKey is JSITYESESIDVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14/h1-8,17H,9,16H2.
What are the key properties of 2-[4-(4-aminoanilino)phenyl]acetonitrile?
2-[4-(4-aminoanilino)phenyl]acetonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminoanilino)phenyl]acetonitrile is sourced from PubChem (CID 62302194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).