4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid

C16H23N2O4P — CID 175144937

IUPAC4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid
SMILESCc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.O=P(O)(O)O
InChIInChI=1S/C16H20N2.H3O4P/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;1-5(2,3)4/h5-8H,17-18H2,1-4H3;(H3,1,2,3,4)
InChIKeyKZHZGALODKFLQH-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.82
Rot. Bonds1

About 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid

4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid (PubChem CID 175144937) has the molecular formula C16H23N2O4P and a molecular weight of 338.34 g/mol. Its IUPAC name is 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid.

Molecular Properties

Compound Name4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid
PubChem CID175144937
Molecular FormulaC16H23N2O4P
Molecular Weight338.34 g/mol
Exact Mass338.14
IUPAC Name4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid
SMILESCc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.O=P(O)(O)O
InChIInChI=1S/C16H20N2.H3O4P/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;1-5(2,3)4/h5-8H,17-18H2,1-4H3;(H3,1,2,3,4)
InChIKeyKZHZGALODKFLQH-UHFFFAOYSA-N
XLogP2.82
TPSA129.80 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid?
The IUPAC name of 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid (CID 175144937) is 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid.
What is the SMILES notation for 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid?
The canonical SMILES for 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid is Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.O=P(O)(O)O.
What is the InChIKey of 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid?
The InChIKey is KZHZGALODKFLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.H3O4P/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;1-5(2,3)4/h5-8H,17-18H2,1-4H3;(H3,1,2,3,4).
What are the key properties of 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid?
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid has a molecular weight of 338.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;phosphoric acid is sourced from PubChem (CID 175144937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).