1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine

C10H14N2O3 — CID 129053737

IUPAC1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine
SMILESCONCc1cc(C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C10H14N2O3/c1-7-5-10(12(13)14)8(2)4-9(7)6-11-15-3/h4-5,11H,6H2,1-3H3
InChIKeyNEXUVCJOOOSTNF-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.86
Rot. Bonds4

About 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine

1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine (PubChem CID 129053737) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine
PubChem CID129053737
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine
SMILESCONCc1cc(C)c([N+](=O)[O-])cc1C
InChIInChI=1S/C10H14N2O3/c1-7-5-10(12(13)14)8(2)4-9(7)6-11-15-3/h4-5,11H,6H2,1-3H3
InChIKeyNEXUVCJOOOSTNF-UHFFFAOYSA-N
XLogP1.86
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine 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

1-ethyl-2,4-dimethyl-5-nitrobenzene
CID 20695705
1-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-nitrobenzene
CID 145045156
1-(bromomethyl)-2,4-dimethyl-5-nitrobenzene
CID 131011181
methyl 2-[2-(bromomethyl)-4-methyl-5-nitrophenyl]acetate
CID 171019819
1-(chloromethyl)-2-fluoro-5-methyl-4-nitrobenzene
CID 67175932
1-[4-(chloromethyl)-3-methylphenoxy]-2,5-dimethyl-4-nitrobenzene
CID 63568400
5-methyl-2-nitro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 115912414
2,5-dimethyl-N-[(2-methylphenyl)methyl]-4-nitroaniline
CID 103144964
N-methoxy-1-(2-methoxy-5-nitrophenyl)methanamine
CID 60702867
1-(chloromethyl)-5-fluoro-2-methyl-4-nitrobenzene
CID 131145740
(2-bromo-5-methyl-4-nitrophenyl)methanol
CID 119024875
N-methoxy-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 117298672

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine?
The IUPAC name of 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine (CID 129053737) is 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine.
What is the SMILES notation for 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine?
The canonical SMILES for 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine is CONCc1cc(C)c([N+](=O)[O-])cc1C.
What is the InChIKey of 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine?
The InChIKey is NEXUVCJOOOSTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-5-10(12(13)14)8(2)4-9(7)6-11-15-3/h4-5,11H,6H2,1-3H3.
What are the key properties of 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine?
1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine has a molecular weight of 210.23 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-nitrophenyl)-N-methoxymethanamine is sourced from PubChem (CID 129053737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).