2,6-dimethyl-3-nitrosoaniline

C8H10N2O — CID 154954287

IUPAC2,6-dimethyl-3-nitrosoaniline
SMILESCc1ccc(N=O)c(C)c1N
InChIInChI=1S/C8H10N2O/c1-5-3-4-7(10-11)6(2)8(5)9/h3-4H,9H2,1-2H3
InChIKeyKVCBHLIFVXPTQK-UHFFFAOYSA-N
MW150.18 g/mol
LogP2.28
Rot. Bonds1

About 2,6-dimethyl-3-nitrosoaniline

2,6-dimethyl-3-nitrosoaniline (PubChem CID 154954287) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,6-dimethyl-3-nitrosoaniline.

Molecular Properties

Compound Name2,6-dimethyl-3-nitrosoaniline
PubChem CID154954287
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2,6-dimethyl-3-nitrosoaniline
SMILESCc1ccc(N=O)c(C)c1N
InChIInChI=1S/C8H10N2O/c1-5-3-4-7(10-11)6(2)8(5)9/h3-4H,9H2,1-2H3
InChIKeyKVCBHLIFVXPTQK-UHFFFAOYSA-N
XLogP2.28
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-3-nitrosoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,6-trimethylaniline
CID 11958947
3,6-dimethylbenzene-1,2-diamine;2,4,6-trimethylbenzene-1,3-diamine
CID 161457493
2-methyl-1,4-dinitrosobenzene
CID 2749266
1-N,1-N,2,4-tetramethylbenzene-1,3-diamine
CID 66717231
(3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium
CID 89323692
4-(4-aminophenyl)aniline;1-methyl-2,4-dinitrosobenzene
CID 166636644
2,3-difluoro-6-nitrosoaniline
CID 90887779
2-fluoro-3,6-dimethylaniline
CID 67968158
benzene-1,4-dicarboxamide;2,4-dimethylbenzene-1,3-diamine
CID 70386700
1-(3-amino-2,4-dimethylphenyl)pyrrolidin-2-one
CID 12833278
N-ethyl-3-methyl-4-nitrosoaniline
CID 21453393
2-(2,6-diamino-3-methylphenoxy)-4-methylbenzene-1,3-diamine
CID 168866150

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-nitrosoaniline?
The IUPAC name of 2,6-dimethyl-3-nitrosoaniline (CID 154954287) is 2,6-dimethyl-3-nitrosoaniline.
What is the SMILES notation for 2,6-dimethyl-3-nitrosoaniline?
The canonical SMILES for 2,6-dimethyl-3-nitrosoaniline is Cc1ccc(N=O)c(C)c1N.
What is the InChIKey of 2,6-dimethyl-3-nitrosoaniline?
The InChIKey is KVCBHLIFVXPTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-3-4-7(10-11)6(2)8(5)9/h3-4H,9H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-nitrosoaniline?
2,6-dimethyl-3-nitrosoaniline has a molecular weight of 150.18 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-nitrosoaniline is sourced from PubChem (CID 154954287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).