1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine

C11H16N2O4 — CID 143593271

IUPAC1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine
SMILESCNC(C)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-7(12-2)8-5-10(16-3)11(17-4)6-9(8)13(14)15/h5-7,12H,1-4H3
InChIKeyNFBPHJCOINALQQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.89
Rot. Bonds5

About 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine

1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine (PubChem CID 143593271) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine
PubChem CID143593271
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine
SMILESCNC(C)c1cc(OC)c(OC)cc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O4/c1-7(12-2)8-5-10(16-3)11(17-4)6-9(8)13(14)15/h5-7,12H,1-4H3
InChIKeyNFBPHJCOINALQQ-UHFFFAOYSA-N
XLogP1.89
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-4-[1-(methylamino)ethyl]-5-nitrophenoxy]-N-methylacetamide
CID 122547579
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916121
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)ethanol
CID 916122
3-(4,5-dimethoxy-2-nitrophenyl)butan-2-ol
CID 83008421
3-(4,5-dimethoxy-2-nitrophenyl)butan-2-amine
CID 83007806
N-[(4,5-dimethoxy-2-nitrophenyl)-formamidomethyl]formamide
CID 121223924
(1R)-1-(4,5-dimethoxy-2-nitrophenyl)-2-methylbutan-1-amine
CID 171213477
1-(2-chloropentan-3-yl)-4,5-dimethoxy-2-nitrobenzene
CID 83007945
2-(4,5-dimethoxy-2-nitrophenyl)-2-hydroxyacetonitrile
CID 171371576
2-amino-2-(4,5-dimethoxy-2-nitrophenyl)acetic acid
CID 53419103
(1S)-1-(4,5-dimethoxy-2-nitrophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311935
1-(dinitromethyl)-5-methoxy-2,4-dinitrobenzene
CID 23423952

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine?
The IUPAC name of 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine (CID 143593271) is 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine is CNC(C)c1cc(OC)c(OC)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine?
The InChIKey is NFBPHJCOINALQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(12-2)8-5-10(16-3)11(17-4)6-9(8)13(14)15/h5-7,12H,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine?
1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine has a molecular weight of 240.26 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-nitrophenyl)-N-methylethanamine is sourced from PubChem (CID 143593271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).