3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline

C16H20N2 — CID 2324891

IUPAC3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline
SMILESCc1ccc(-c2ccc(C)c(N)c2C)c(C)c1N
InChIInChI=1S/C16H20N2/c1-9-5-7-13(11(3)15(9)17)14-8-6-10(2)16(18)12(14)4/h5-8H,17-18H2,1-4H3
InChIKeyXSZRDPTUXSHQFP-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.75
Rot. Bonds1

About 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline

3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline (PubChem CID 2324891) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline
PubChem CID2324891
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline
SMILESCc1ccc(-c2ccc(C)c(N)c2C)c(C)c1N
InChIInChI=1S/C16H20N2/c1-9-5-7-13(11(3)15(9)17)14-8-6-10(2)16(18)12(14)4/h5-8H,17-18H2,1-4H3
InChIKeyXSZRDPTUXSHQFP-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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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline?
The IUPAC name of 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline (CID 2324891) is 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline.
What is the SMILES notation for 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline?
The canonical SMILES for 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline is Cc1ccc(-c2ccc(C)c(N)c2C)c(C)c1N.
What is the InChIKey of 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline?
The InChIKey is XSZRDPTUXSHQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-9-5-7-13(11(3)15(9)17)14-8-6-10(2)16(18)12(14)4/h5-8H,17-18H2,1-4H3.
What are the key properties of 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline?
3-(3-amino-2,4-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 3-(3-amino-2,4-dimethylphenyl)-2,6-dimethylaniline is sourced from PubChem (CID 2324891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).