3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane

C16H23N3O — CID 155147484

IUPAC3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane
SMILESCCOCC.Nc1ccccc1-c1cccc(N)c1N
InChIInChI=1S/C12H13N3.C4H10O/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15;1-3-5-4-2/h1-7H,13-15H2;3-4H2,1-2H3
InChIKeyGZKMDBLBNBCLTM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.14
Rot. Bonds3

About 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane

3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane (PubChem CID 155147484) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane.

Molecular Properties

Compound Name3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane
PubChem CID155147484
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane
SMILESCCOCC.Nc1ccccc1-c1cccc(N)c1N
InChIInChI=1S/C12H13N3.C4H10O/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15;1-3-5-4-2/h1-7H,13-15H2;3-4H2,1-2H3
InChIKeyGZKMDBLBNBCLTM-UHFFFAOYSA-N
XLogP3.14
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane?
The IUPAC name of 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane (CID 155147484) is 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane.
What is the SMILES notation for 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane?
The canonical SMILES for 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane is CCOCC.Nc1ccccc1-c1cccc(N)c1N.
What is the InChIKey of 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane?
The InChIKey is GZKMDBLBNBCLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.C4H10O/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15;1-3-5-4-2/h1-7H,13-15H2;3-4H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane?
3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane has a molecular weight of 273.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)benzene-1,2-diamine;ethoxyethane is sourced from PubChem (CID 155147484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).