(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine

C10H10Cl2N2O2 — CID 10563333

IUPAC(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1cc(Cl)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H10Cl2N2O2/c1-13(2)4-3-7-5-9(12)10(14(15)16)6-8(7)11/h3-6H,1-2H3/b4-3+
InChIKeyDAKURRGFZFTSOS-ONEGZZNKSA-N
MW261.11 g/mol
LogP3.43
Rot. Bonds3

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

(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine (PubChem CID 10563333) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine
PubChem CID10563333
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1cc(Cl)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H10Cl2N2O2/c1-13(2)4-3-7-5-9(12)10(14(15)16)6-8(7)11/h3-6H,1-2H3/b4-3+
InChIKeyDAKURRGFZFTSOS-ONEGZZNKSA-N
XLogP3.43
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 53.43
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'}

Analyze (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine 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

(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 11310699
(E)-2-(5-chloro-2,4-dinitrophenyl)-N,N-dimethylethenamine;1,1-dimethoxy-N,N-dimethylmethanamine;1,5-dimethyl-2,4-dinitrobenzene
CID 161393546
(Z)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine
CID 56777234
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
CID 72526990
(E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
CID 59140662
2-amino-5-chloro-4-nitrobenzaldehyde
CID 11344681
N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
CID 123915141
(E)-2-(2-bromo-3,4-dimethyl-6-nitrophenyl)-N,N-dimethylethenamine
CID 134325904
2-chloro-4-(dimethylamino)-5-nitrobenzaldehyde
CID 13235809
4-(4,5-dichloro-2-nitrophenyl)but-3-enenitrile
CID 170800343
N-[4-[(E)-2-(dimethylamino)ethenyl]-3-nitrophenyl]sulfanyl-2-methylpropan-2-amine
CID 143093526

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine?
The IUPAC name of (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine (CID 10563333) is (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine is CN(C)/C=C/c1cc(Cl)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine?
The InChIKey is DAKURRGFZFTSOS-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-13(2)4-3-7-5-9(12)10(14(15)16)6-8(7)11/h3-6H,1-2H3/b4-3+.
What are the key properties of (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine?
(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine has a molecular weight of 261.11 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine is sourced from PubChem (CID 10563333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).