1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine

C15H14Cl2N2O2 — CID 43081434

IUPAC1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-10(13-7-6-12(16)8-14(13)17)18-9-11-4-2-3-5-15(11)19(20)21/h2-8,10,18H,9H2,1H3
InChIKeyWUKXODYULBEIAF-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.75
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine

1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine (PubChem CID 43081434) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
PubChem CID43081434
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-10(13-7-6-12(16)8-14(13)17)18-9-11-4-2-3-5-15(11)19(20)21/h2-8,10,18H,9H2,1H3
InChIKeyWUKXODYULBEIAF-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
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

(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81364114
N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 62101267
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-nitrophenyl)acetamide
CID 9254284
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349336
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
(1R)-N-[(5-chloro-2-nitrophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81371261
N-[(2-ethylphenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 64681766
(1R)-1-(2-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 28520409
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 81406489
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 65196934
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500589
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500586

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine (CID 43081434) is 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine is CC(NCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine?
The InChIKey is WUKXODYULBEIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-10(13-7-6-12(16)8-14(13)17)18-9-11-4-2-3-5-15(11)19(20)21/h2-8,10,18H,9H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine?
1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine has a molecular weight of 325.19 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[(2-nitrophenyl)methyl]ethanamine is sourced from PubChem (CID 43081434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).