3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene

C18H24N2O4 — CID 160582326

IUPAC3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene
SMILESCOc1ccc(C)c(N)c1C.COc1ccc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C9H11NO3.C9H13NO/c1-6-4-5-8(13-3)7(2)9(6)10(11)12;1-6-4-5-8(11-3)7(2)9(6)10/h4-5H,1-3H3;4-5H,10H2,1-3H3
InChIKeyRBYCZXXPZQSGGO-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.11
Rot. Bonds3

About 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene

3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene (PubChem CID 160582326) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene.

Molecular Properties

Compound Name3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene
PubChem CID160582326
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene
SMILESCOc1ccc(C)c(N)c1C.COc1ccc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C9H11NO3.C9H13NO/c1-6-4-5-8(13-3)7(2)9(6)10(11)12;1-6-4-5-8(11-3)7(2)9(6)10/h4-5H,1-3H3;4-5H,10H2,1-3H3
InChIKeyRBYCZXXPZQSGGO-UHFFFAOYSA-N
XLogP4.11
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1,3-dimethyl-2-nitro-4-(trifluoromethoxy)benzene
CID 118819026
4-methoxy-3-methyl-2-nitrobenzonitrile
CID 58377381
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
4-methyl-3-nitrobenzene-1,2-diamine
CID 3639343
6-methoxy-4-methyl-8-nitroquinolin-7-amine
CID 593976
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
3-bromo-6-methyl-2-nitroaniline
CID 84726344
6-methyl-3-methylsulfonyl-2-nitroaniline
CID 117059426
1-chloro-2,4-dimethyl-3-nitrobenzene
CID 20508440
(3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium
CID 89323692
2,4-dimethyl-3-nitrobenzenesulfonamide
CID 118990328
3-bromo-1-methoxy-2-methyl-4-nitrobenzene
CID 53416656

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene?
The IUPAC name of 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene (CID 160582326) is 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene.
What is the SMILES notation for 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene?
The canonical SMILES for 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene is COc1ccc(C)c(N)c1C.COc1ccc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene?
The InChIKey is RBYCZXXPZQSGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C9H13NO/c1-6-4-5-8(13-3)7(2)9(6)10(11)12;1-6-4-5-8(11-3)7(2)9(6)10/h4-5H,1-3H3;4-5H,10H2,1-3H3.
What are the key properties of 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene?
3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene has a molecular weight of 332.40 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene is sourced from PubChem (CID 160582326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).