bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride

C32H42Cl2N4 — CID 69109128

IUPACbis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
SMILESCc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.Cl.Cl
InChIInChI=1S/2C16H20N2.2ClH/c2*1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h2*5-8H,17-18H2,1-4H3;2*1H
InChIKeyAQZYFPGGYZGISC-UHFFFAOYSA-N
MW553.62 g/mol
LogP8.35
Rot. Bonds2

About bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride

bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride (PubChem CID 69109128) has the molecular formula C32H42Cl2N4 and a molecular weight of 553.62 g/mol. Its IUPAC name is bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride.

Molecular Properties

Compound Namebis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
PubChem CID69109128
Molecular FormulaC32H42Cl2N4
Molecular Weight553.62 g/mol
Exact Mass552.28
IUPAC Namebis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
SMILESCc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.Cl.Cl
InChIInChI=1S/2C16H20N2.2ClH/c2*1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h2*5-8H,17-18H2,1-4H3;2*1H
InChIKeyAQZYFPGGYZGISC-UHFFFAOYSA-N
XLogP8.35
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.62
LogP ≤ 58.35
H-Bond Donors ≤ 54
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 bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride?
The IUPAC name of bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride (CID 69109128) is bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride.
What is the SMILES notation for bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride?
The canonical SMILES for bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride is Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.Cl.Cl.
What is the InChIKey of bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride?
The InChIKey is AQZYFPGGYZGISC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H20N2.2ClH/c2*1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;;/h2*5-8H,17-18H2,1-4H3;2*1H.
What are the key properties of bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride?
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride has a molecular weight of 553.62 g/mol, XLogP of 8.35, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride is sourced from PubChem (CID 69109128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).