1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

C15H14Cl2N2O2 — CID 61080227

IUPAC1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-18-13(11-6-4-7-12(16)15(11)17)9-10-5-2-3-8-14(10)19(20)21/h2-8,13,18H,9H2,1H3
InChIKeyJKDPOQIBDLJHLJ-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.40
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine

1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (PubChem CID 61080227) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
PubChem CID61080227
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-18-13(11-6-4-7-12(16)15(11)17)9-10-5-2-3-8-14(10)19(20)21/h2-8,13,18H,9H2,1H3
InChIKeyJKDPOQIBDLJHLJ-UHFFFAOYSA-N
XLogP4.40
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.40
H-Bond Donors ≤ 51
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

1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 81481100
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
1-(3-chloro-4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 103222354
1-[1-bromo-2-(2-nitrophenyl)ethyl]-3-chloro-2-methylbenzene
CID 107099933
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
1-(2-bromo-5-fluorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080048
N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61078228
2-(2-chloro-4-methylphenyl)-1-(2,3-dichlorophenyl)-N-methylethanamine
CID 106867306

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine (CID 61080227) is 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is CNC(Cc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
The InChIKey is JKDPOQIBDLJHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-18-13(11-6-4-7-12(16)15(11)17)9-10-5-2-3-8-14(10)19(20)21/h2-8,13,18H,9H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine?
1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine has a molecular weight of 325.19 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 61080227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).