2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine

C14H17N3 — CID 68788497

IUPAC2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)cc1-c1ccccc1N
InChIInChI=1S/C14H17N3/c1-17(2)14-8-7-10(15)9-12(14)11-5-3-4-6-13(11)16/h3-9H,15-16H2,1-2H3
InChIKeyQZKLOWCNAGMEEX-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.58
Rot. Bonds2

About 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine

2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 68788497) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID68788497
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)cc1-c1ccccc1N
InChIInChI=1S/C14H17N3/c1-17(2)14-8-7-10(15)9-12(14)11-5-3-4-6-13(11)16/h3-9H,15-16H2,1-2H3
InChIKeyQZKLOWCNAGMEEX-UHFFFAOYSA-N
XLogP2.58
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 68788497) is 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(N)cc1-c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is QZKLOWCNAGMEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17(2)14-8-7-10(15)9-12(14)11-5-3-4-6-13(11)16/h3-9H,15-16H2,1-2H3.
What are the key properties of 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 227.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 68788497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).