1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine

C14H12Cl2N2O2 — CID 61079957

IUPAC1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine
SMILESNC(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c15-10-5-6-12(16)11(8-10)13(17)7-9-3-1-2-4-14(9)18(19)20/h1-6,8,13H,7,17H2
InChIKeyKNUAGDRDTQFVJC-UHFFFAOYSA-N
MW311.17 g/mol
LogP4.14
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine

1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine (PubChem CID 61079957) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine
PubChem CID61079957
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine
SMILESNC(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2N2O2/c15-10-5-6-12(16)11(8-10)13(17)7-9-3-1-2-4-14(9)18(19)20/h1-6,8,13H,7,17H2
InChIKeyKNUAGDRDTQFVJC-UHFFFAOYSA-N
XLogP4.14
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 54.14
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'}

Analyze 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine 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

1,4-dichloro-2-[1-chloro-2-(2-nitrophenyl)ethyl]benzene
CID 63519709
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
1-(5-chloro-2-methylphenyl)-2-(2-nitrophenyl)ethanol
CID 82890343
1-(3-bromo-5-chlorophenyl)-2-(2-nitrophenyl)ethanamine
CID 107955229
1-(3-chloro-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 81323338
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 62504909
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 102622560
1-[2-bromo-2-(3-chlorophenyl)ethyl]-2-nitrobenzene
CID 63542749
1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(4-chloro-2-methoxyphenyl)-2-(2-nitrophenyl)ethanol
CID 63017859
1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
CID 65017800
1-(2-chlorophenyl)-4-(2-nitrophenyl)butan-2-amine
CID 65017978

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine (CID 61079957) is 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine is NC(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine?
The InChIKey is KNUAGDRDTQFVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-10-5-6-12(16)11(8-10)13(17)7-9-3-1-2-4-14(9)18(19)20/h1-6,8,13H,7,17H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine?
1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine has a molecular weight of 311.17 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2-nitrophenyl)ethanamine is sourced from PubChem (CID 61079957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).