ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate

C11H16N2O4 — CID 143884541

IUPACethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate
SMILESCC.CNc1cc([N+](=O)[O-])cc(C)c1OC=O
InChIInChI=1S/C9H10N2O4.C2H6/c1-6-3-7(11(13)14)4-8(10-2)9(6)15-5-12;1-2/h3-5,10H,1-2H3;1-2H3
InChIKeyWEFLVVPDUAXEAL-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.51
Rot. Bonds4

About ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate

ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate (PubChem CID 143884541) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate.

Molecular Properties

Compound Nameethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate
PubChem CID143884541
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate
SMILESCC.CNc1cc([N+](=O)[O-])cc(C)c1OC=O
InChIInChI=1S/C9H10N2O4.C2H6/c1-6-3-7(11(13)14)4-8(10-2)9(6)15-5-12;1-2/h3-5,10H,1-2H3;1-2H3
InChIKeyWEFLVVPDUAXEAL-UHFFFAOYSA-N
XLogP2.51
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-N,3-dimethyl-5-nitrobenzene-1,2-diamine
CID 175921943
2-ethoxy-1,3-dimethyl-5-nitrobenzene
CID 13343824
1-fluoro-2-methoxy-3-methyl-5-nitrobenzene
CID 131014124
2-fluoro-6-methyl-4-nitrobenzaldehyde
CID 131125676
2,6-dimethyl-4-nitrophenolate
CID 6993803
2,6-dimethyl-4-nitrophenol;ethane;methane
CID 143297334
(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)
CID 87198165
1-N,3-N-dimethyl-5-nitrobenzene-1,3-diamine
CID 80770276
azane;(2-methyl-4,6-dinitrophenyl) nitrate;platinum(2+)
CID 173080701
methyl 2-(2-formyl-6-methyl-4-nitrophenyl)acetate
CID 171024715
N,2-dimethyl-4-nitroaniline;ethane;1-fluoro-4-nitrobenzene;N-methyl-4-nitroaniline
CID 91524624
[2-methyl-4,6-bis[oxido(oxo)(15N)(15N)azaniumyl]phenyl] acetate
CID 10421833

Frequently Asked Questions

What is the IUPAC name of ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate?
The IUPAC name of ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate (CID 143884541) is ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate.
What is the SMILES notation for ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate?
The canonical SMILES for ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate is CC.CNc1cc([N+](=O)[O-])cc(C)c1OC=O.
What is the InChIKey of ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate?
The InChIKey is WEFLVVPDUAXEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4.C2H6/c1-6-3-7(11(13)14)4-8(10-2)9(6)15-5-12;1-2/h3-5,10H,1-2H3;1-2H3.
What are the key properties of ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate?
ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate has a molecular weight of 240.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-methyl-6-(methylamino)-4-nitrophenyl] formate is sourced from PubChem (CID 143884541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).