2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline

C16H18N2O2 — CID 71332541

IUPAC2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline
SMILESCc1cc(C)c(-c2c(C)cc(C)cc2[N+](=O)[O-])c(N)c1
InChIInChI=1S/C16H18N2O2/c1-9-5-11(3)15(13(17)7-9)16-12(4)6-10(2)8-14(16)18(19)20/h5-8H,17H2,1-4H3
InChIKeyGUVNQPAXIIRKAR-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.08
Rot. Bonds2

About 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline

2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline (PubChem CID 71332541) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline
PubChem CID71332541
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline
SMILESCc1cc(C)c(-c2c(C)cc(C)cc2[N+](=O)[O-])c(N)c1
InChIInChI=1S/C16H18N2O2/c1-9-5-11(3)15(13(17)7-9)16-12(4)6-10(2)8-14(16)18(19)20/h5-8H,17H2,1-4H3
InChIKeyGUVNQPAXIIRKAR-UHFFFAOYSA-N
XLogP4.08
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,2,4-trimethyl-6-nitroaniline
CID 10583519
sodium 4-methyl-2,6-dinitrophenolate
CID 102438433
2,4-dimethyl-6-nitrobenzoic acid
CID 53416170
5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine
CID 80664421
1,4-dimethyl-2-nitrobenzene
CID 20849377
2-N-butyl-5-methyl-3-nitrobenzene-1,2-diamine
CID 54236924
5-(2-methyl-6-nitrophenyl)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
CID 71497917
7-nitro-4-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 87505168
2-amino-5-methyl-4-nitrobenzaldehyde
CID 20585942
2-amino-5-methyl-4-nitrophenol
CID 12781867
methane;1,3,5-trimethyl-2-(4-nitrophenyl)benzene;4-(2,4,6-trimethylphenyl)aniline;hydrochloride
CID 159571615
ethyl 3-(2,4-dimethyl-6-nitrophenyl)prop-2-enoate
CID 169481204

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline?
The IUPAC name of 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline (CID 71332541) is 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline.
What is the SMILES notation for 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline?
The canonical SMILES for 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline is Cc1cc(C)c(-c2c(C)cc(C)cc2[N+](=O)[O-])c(N)c1.
What is the InChIKey of 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline?
The InChIKey is GUVNQPAXIIRKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-9-5-11(3)15(13(17)7-9)16-12(4)6-10(2)8-14(16)18(19)20/h5-8H,17H2,1-4H3.
What are the key properties of 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline?
2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline has a molecular weight of 270.33 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-nitrophenyl)-3,5-dimethylaniline is sourced from PubChem (CID 71332541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).