4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride

C16H22Cl2N2 — CID 51066481

IUPAC4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
SMILESCc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C16H20N2.2ClH/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h5-8H,17-18H2,1-4H3;2*1H
InChIKeyNYNRGZULARUZCC-UHFFFAOYSA-N
MW313.27 g/mol
LogP-2.02
Rot. Bonds1

About 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride

4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride (PubChem CID 51066481) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride.

Molecular Properties

Compound Name4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
PubChem CID51066481
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
SMILESCc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C16H20N2.2ClH/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h5-8H,17-18H2,1-4H3;2*1H
InChIKeyNYNRGZULARUZCC-UHFFFAOYSA-N
XLogP-2.02
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 5-2.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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;hydron;dichloride?
The IUPAC name of 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride (CID 51066481) is 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride.
What is the SMILES notation for 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride?
The canonical SMILES for 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride is Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride?
The InChIKey is NYNRGZULARUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.2ClH/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h5-8H,17-18H2,1-4H3;2*1H.
What are the key properties of 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride?
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride has a molecular weight of 313.27 g/mol, XLogP of -2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride is sourced from PubChem (CID 51066481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).