(3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium

C9H13N2O2+ — CID 89323692

IUPAC(3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc(C)c(N)c1C
InChIInChI=1S/C9H13N2O2/c1-6-4-5-8(11(12)13-3)7(2)9(6)10/h4-5H,10H2,1-3H3/q+1
InChIKeyYXDVAPDOUWFXMD-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.86
Rot. Bonds2

About (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium

(3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium (PubChem CID 89323692) has the molecular formula C9H13N2O2+ and a molecular weight of 181.21 g/mol. Its IUPAC name is (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium.

Molecular Properties

Compound Name(3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium
PubChem CID89323692
Molecular FormulaC9H13N2O2+
Molecular Weight181.21 g/mol
Exact Mass181.10
IUPAC Name(3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium
SMILESCO[N+](=O)c1ccc(C)c(N)c1C
InChIInChI=1S/C9H13N2O2/c1-6-4-5-8(11(12)13-3)7(2)9(6)10/h4-5H,10H2,1-3H3/q+1
InChIKeyYXDVAPDOUWFXMD-UHFFFAOYSA-N
XLogP1.86
TPSA55.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-trimethylaniline
CID 11958947
3-methyl-6-nitrobenzene-1,2-diamine
CID 54544550
3-methoxy-2,6-dimethylaniline;1-methoxy-2,4-dimethyl-3-nitrobenzene
CID 160582326
3,6-dimethylbenzene-1,2-diamine;2,4,6-trimethylbenzene-1,3-diamine
CID 161457493
3-(methoxymethyl)-2,6-dimethylaniline
CID 13265347
methyl 2-amino-3-methyl-4-nitrobenzoate
CID 131397015
[3-[(2,2-difluoroacetyl)amino]-2-fluoro-4-methylphenyl]-methoxy-oxoazanium
CID 153077525
2-amino-3-methyl-4-nitrophenol
CID 86240740
methyl 2-(2-amino-3-methyl-4-nitrophenyl)acetate
CID 171030711
2-(2,6-diamino-3-methylphenoxy)-4-methylbenzene-1,3-diamine
CID 168866150
1-N,1-N,2,4-tetramethylbenzene-1,3-diamine
CID 66717231
6-[(1R)-1-amino-2-methoxyethyl]-2,3-dimethylaniline
CID 130914275

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium?
The IUPAC name of (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium (CID 89323692) is (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium.
What is the SMILES notation for (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium?
The canonical SMILES for (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium is CO[N+](=O)c1ccc(C)c(N)c1C.
What is the InChIKey of (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium?
The InChIKey is YXDVAPDOUWFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O2/c1-6-4-5-8(11(12)13-3)7(2)9(6)10/h4-5H,10H2,1-3H3/q+1.
What are the key properties of (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium?
(3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium has a molecular weight of 181.21 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,4-dimethylphenyl)-methoxy-oxoazanium is sourced from PubChem (CID 89323692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).