sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride

C16H21N2Na — CID 173092762

IUPACsodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride
SMILESCc1c(N)ccc(-c2ccc(N)c(C)c2C)c1C.[H-].[Na+]
InChIInChI=1S/C16H20N2.Na.H/c1-9-11(3)15(17)7-5-13(9)14-6-8-16(18)12(4)10(14)2;;/h5-8H,17-18H2,1-4H3;;/q;+1;-1
InChIKeyCHADFWUGIUMPGG-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.87
Rot. Bonds1

About sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride

sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride (PubChem CID 173092762) has the molecular formula C16H21N2Na and a molecular weight of 264.35 g/mol. Its IUPAC name is sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride.

Molecular Properties

Compound Namesodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride
PubChem CID173092762
Molecular FormulaC16H21N2Na
Molecular Weight264.35 g/mol
Exact Mass264.16
IUPAC Namesodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride
SMILESCc1c(N)ccc(-c2ccc(N)c(C)c2C)c1C.[H-].[Na+]
InChIInChI=1S/C16H20N2.Na.H/c1-9-11(3)15(17)7-5-13(9)14-6-8-16(18)12(4)10(14)2;;/h5-8H,17-18H2,1-4H3;;/q;+1;-1
InChIKeyCHADFWUGIUMPGG-UHFFFAOYSA-N
XLogP0.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride?
The IUPAC name of sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride (CID 173092762) is sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride.
What is the SMILES notation for sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride?
The canonical SMILES for sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride is Cc1c(N)ccc(-c2ccc(N)c(C)c2C)c1C.[H-].[Na+].
What is the InChIKey of sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride?
The InChIKey is CHADFWUGIUMPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.Na.H/c1-9-11(3)15(17)7-5-13(9)14-6-8-16(18)12(4)10(14)2;;/h5-8H,17-18H2,1-4H3;;/q;+1;-1.
What are the key properties of sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride?
sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride has a molecular weight of 264.35 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-(4-amino-2,3-dimethylphenyl)-2,3-dimethylaniline;hydride is sourced from PubChem (CID 173092762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).