(E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine

C11H13IN2O3 — CID 59140662

IUPAC(E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
SMILESCOc1cc(/C=C/N(C)C)c([N+](=O)[O-])cc1I
InChIInChI=1S/C11H13IN2O3/c1-13(2)5-4-8-6-11(17-3)9(12)7-10(8)14(15)16/h4-7H,1-3H3/b5-4+
InChIKeyZDOVPHJZJREWPT-SNAWJCMRSA-N
MW348.14 g/mol
LogP2.74
Rot. Bonds4

About (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine

(E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine (PubChem CID 59140662) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
PubChem CID59140662
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC Name(E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
SMILESCOc1cc(/C=C/N(C)C)c([N+](=O)[O-])cc1I
InChIInChI=1S/C11H13IN2O3/c1-13(2)5-4-8-6-11(17-3)9(12)7-10(8)14(15)16/h4-7H,1-3H3/b5-4+
InChIKeyZDOVPHJZJREWPT-SNAWJCMRSA-N
XLogP2.74
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
CID 72526990
3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enal
CID 54315550
methyl 4-[(E)-2-(dimethylamino)ethenyl]-5-nitropyridine-2-carboxylate
CID 86602115
1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
(E)-2-(5-chloro-2,4-dinitrophenyl)-N,N-dimethylethenamine;1,1-dimethoxy-N,N-dimethylmethanamine;1,5-dimethyl-2,4-dinitrobenzene
CID 161393546
sodium;5-bromo-4-methyl-2-nitrobenzaldehyde;(E)-2-(5-bromo-4-methyl-2-nitrophenyl)-N,N-dimethylethenamine;periodate
CID 159865598
2-(5-iodo-2-nitro-3-pyridinyl)-N,N-dimethylethenamine
CID 141392738
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
(E)-2-(5-bromo-6-methoxy-3-nitro-2-pyridinyl)-N,N-dimethylethenamine
CID 166021888
1-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
CID 87240394
methyl (E)-3-[5-methoxy-4-(2-methoxy-2-oxoethoxy)-2-nitrophenyl]prop-2-enoate
CID 26435268

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine?
The IUPAC name of (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine (CID 59140662) is (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine is COc1cc(/C=C/N(C)C)c([N+](=O)[O-])cc1I.
What is the InChIKey of (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine?
The InChIKey is ZDOVPHJZJREWPT-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H13IN2O3/c1-13(2)5-4-8-6-11(17-3)9(12)7-10(8)14(15)16/h4-7H,1-3H3/b5-4+.
What are the key properties of (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine?
(E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine has a molecular weight of 348.14 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine is sourced from PubChem (CID 59140662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).