(E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine

C12H15BrN2O2 — CID 134325904

IUPAC(E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine
SMILESCc1cc([N+](=O)[O-])c(/C=C/N(C)C)c(Br)c1C
InChIInChI=1S/C12H15BrN2O2/c1-8-7-11(15(16)17)10(5-6-14(3)4)12(13)9(8)2/h5-7H,1-4H3/b6-5+
InChIKeyODMLZTXXDHJJOE-AATRIKPKSA-N
MW299.17 g/mol
LogP3.51
Rot. Bonds3

About (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine

(E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine (PubChem CID 134325904) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine
PubChem CID134325904
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name(E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine
SMILESCc1cc([N+](=O)[O-])c(/C=C/N(C)C)c(Br)c1C
InChIInChI=1S/C12H15BrN2O2/c1-8-7-11(15(16)17)10(5-6-14(3)4)12(13)9(8)2/h5-7H,1-4H3/b6-5+
InChIKeyODMLZTXXDHJJOE-AATRIKPKSA-N
XLogP3.51
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

sodium;5-bromo-4-methyl-2-nitrobenzaldehyde;(E)-2-(5-bromo-4-methyl-2-nitrophenyl)-N,N-dimethylethenamine;periodate
CID 159865598
(E)-2-(3-tert-butyl-2,4,6-trinitrophenyl)-N,N-dimethylethenamine
CID 58201775
N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
CID 123915141
(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 10563333
3-bromo-2,4-dimethyl-6-nitroaniline
CID 5197660
1-bromo-2-fluoro-4-methyl-5-nitrobenzene;(E)-2-(4-bromo-5-fluoro-2-nitrophenyl)-N,N-dimethylethenamine;N,N-dimethyl-1,1-di(propan-2-yloxy)methanamine
CID 161336250
(E)-2-(2-fluoro-6-nitrophenyl)-N,N-dimethylethenamine
CID 23248110
1-(2-bromo-3,4-dimethyl-6-nitrophenyl)pyrrolidine
CID 168513229
(Z)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine
CID 56777234
2-(2-ethyl-6-nitrophenyl)-N,N-dimethylethenamine
CID 140784257
2-(5-bromo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
CID 141392740
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine?
The IUPAC name of (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine (CID 134325904) is (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine is Cc1cc([N+](=O)[O-])c(/C=C/N(C)C)c(Br)c1C.
What is the InChIKey of (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine?
The InChIKey is ODMLZTXXDHJJOE-AATRIKPKSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8-7-11(15(16)17)10(5-6-14(3)4)12(13)9(8)2/h5-7H,1-4H3/b6-5+.
What are the key properties of (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine?
(E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine has a molecular weight of 299.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine is sourced from PubChem (CID 134325904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).