4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline

C16H20N2 — CID 54482332

IUPAC4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline
SMILESCc1cc(-c2cc(C)c(N)c(C)c2)c(C)cc1N
InChIInChI=1S/C16H20N2/c1-9-8-15(17)10(2)7-14(9)13-5-11(3)16(18)12(4)6-13/h5-8H,17-18H2,1-4H3
InChIKeyXPWLQCVMYWPSKT-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.75
Rot. Bonds1

About 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline

4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline (PubChem CID 54482332) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline
PubChem CID54482332
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline
SMILESCc1cc(-c2cc(C)c(N)c(C)c2)c(C)cc1N
InChIInChI=1S/C16H20N2/c1-9-8-15(17)10(2)7-14(9)13-5-11(3)16(18)12(4)6-13/h5-8H,17-18H2,1-4H3
InChIKeyXPWLQCVMYWPSKT-UHFFFAOYSA-N
XLogP3.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-2,5-dimethylaniline
CID 23381822
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
CID 51066481
1,4-dimethyl-2,5-bis(3,4,5-trimethylphenyl)benzene;methane
CID 157145365
4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
CID 89203284
4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline
CID 103145683
4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline
CID 70283207
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
CID 19845090
5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine
CID 163545933
4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline
CID 103145680
4-[4-(dimethylamino)-3,5-dimethylphenyl]-2,6-dimethylaniline
CID 131982760
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;sulfuric acid
CID 67612326

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline?
The IUPAC name of 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline (CID 54482332) is 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline?
The canonical SMILES for 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline is Cc1cc(-c2cc(C)c(N)c(C)c2)c(C)cc1N.
What is the InChIKey of 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline?
The InChIKey is XPWLQCVMYWPSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-9-8-15(17)10(2)7-14(9)13-5-11(3)16(18)12(4)6-13/h5-8H,17-18H2,1-4H3.
What are the key properties of 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline?
4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline has a molecular weight of 240.35 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,5-dimethylphenyl)-2,6-dimethylaniline is sourced from PubChem (CID 54482332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).