(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine

C10H11ClN2O2 — CID 11310699

IUPAC(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-12(2)6-5-8-3-4-9(13(14)15)7-10(8)11/h3-7H,1-2H3/b6-5+
InChIKeyXFDOABBRZKPSAF-AATRIKPKSA-N
MW226.66 g/mol
LogP2.78
Rot. Bonds3

About (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine

(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine (PubChem CID 11310699) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine.

Molecular Properties

Compound Name(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
PubChem CID11310699
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine
SMILESCN(C)/C=C/c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-12(2)6-5-8-3-4-9(13(14)15)7-10(8)11/h3-7H,1-2H3/b6-5+
InChIKeyXFDOABBRZKPSAF-AATRIKPKSA-N
XLogP2.78
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.78
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

N,N-dimethyl-2-(2-methyl-5-nitrophenyl)ethenamine
CID 123915141
3-chloro-4-[(1Z,3Z,5E,7Z)-8-(2-chloro-4-nitrophenyl)octa-1,3,5,7-tetraenyl]benzenesulfonyl fluoride
CID 98545115
(E)-2-(2,5-dichloro-4-nitrophenyl)-N,N-dimethylethenamine
CID 10563333
(E)-3-(2-chloro-4-nitrophenyl)prop-2-enoic acid
CID 5381990
3-chloro-4-[(1Z,3Z)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
CID 98100861
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
3-[(1Z,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
CID 54612163
N,N-dimethyl-2-(5-nitro-1,3-benzoxazol-2-yl)ethenamine
CID 86008495
4-[(1E,3E)-4-(2-chloro-4-nitrophenyl)buta-1,3-dienyl]benzenesulfonyl fluoride
CID 6050850
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
(Z)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine
CID 56777234

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine?
The IUPAC name of (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine (CID 11310699) is (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine.
What is the SMILES notation for (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine?
The canonical SMILES for (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine is CN(C)/C=C/c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine?
The InChIKey is XFDOABBRZKPSAF-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-12(2)6-5-8-3-4-9(13(14)15)7-10(8)11/h3-7H,1-2H3/b6-5+.
What are the key properties of (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine?
(E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine has a molecular weight of 226.66 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-chloro-4-nitrophenyl)-N,N-dimethylethenamine is sourced from PubChem (CID 11310699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).