4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid

C14H18N2O4S — CID 20510156

IUPAC4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid
SMILESCc1cc(-c2ccc(N)c(C)c2)ccc1N.O=S(=O)(O)O
InChIInChI=1S/C14H16N2.H2O4S/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;1-5(2,3)4/h3-8H,15-16H2,1-2H3;(H2,1,2,3,4)
InChIKeyOXFWUANWIXMLRI-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.48
Rot. Bonds1

About 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid

4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid (PubChem CID 20510156) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid.

Molecular Properties

Compound Name4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid
PubChem CID20510156
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid
SMILESCc1cc(-c2ccc(N)c(C)c2)ccc1N.O=S(=O)(O)O
InChIInChI=1S/C14H16N2.H2O4S/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;1-5(2,3)4/h3-8H,15-16H2,1-2H3;(H2,1,2,3,4)
InChIKeyOXFWUANWIXMLRI-UHFFFAOYSA-N
XLogP2.48
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

o-Tolidine
CID 8413
Benzidine
CID 7111
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
3,3',5,5'-Tetramethylbenzidine
CID 41206
4,4'-Methylenebis[2,6-diethylaniline]
CID 83656
3,3'-Dimethylbenzidine dihydrochloride
CID 108938
2,4'-Biphenyldiamine
CID 10292
4,4'-Ethylenedianiline
CID 12138
2,2'-Biphenyldiamine
CID 15075
2,4-Bis(p-aminobenzyl)aniline
CID 33182
2-(4-Aminobenzyl)aniline
CID 14580
4,4'-Methylenebis(2,6-diisopropylaniline)
CID 88307

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid?
The IUPAC name of 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid (CID 20510156) is 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid.
What is the SMILES notation for 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid?
The canonical SMILES for 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid is Cc1cc(-c2ccc(N)c(C)c2)ccc1N.O=S(=O)(O)O.
What is the InChIKey of 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid?
The InChIKey is OXFWUANWIXMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.H2O4S/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;1-5(2,3)4/h3-8H,15-16H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid?
4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid has a molecular weight of 310.38 g/mol, XLogP of 2.48, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylphenyl)-2-methylaniline;sulfuric acid is sourced from PubChem (CID 20510156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).