N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine

C15H15ClN2O2 — CID 43519911

IUPACN-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine
SMILESO=[N+]([O-])c1ccc(CCNCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-15-4-2-1-3-13(15)11-17-10-9-12-5-7-14(8-6-12)18(19)20/h1-8,17H,9-11H2
InChIKeyRALVTQCGXMFCCL-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.58
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine

N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine (PubChem CID 43519911) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine
PubChem CID43519911
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine
SMILESO=[N+]([O-])c1ccc(CCNCc2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O2/c16-15-4-2-1-3-13(15)11-17-10-9-12-5-7-14(8-6-12)18(19)20/h1-8,17H,9-11H2
InChIKeyRALVTQCGXMFCCL-UHFFFAOYSA-N
XLogP3.58
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[[2-(4-nitrophenyl)ethylamino]methyl]phenol
CID 78960858
N-[2-(4-nitrophenyl)ethyl]-2-phenylethanamine
CID 43519927
2-(4-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17208597
N'-[(2-chlorophenyl)methyl]-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806960
N-[(2-chloro-5-nitrophenyl)methyl]-2-(2-fluorophenyl)ethanamine
CID 43462250
N-[(2-chloro-5-nitrophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62312822
N-[(2-nitrophenyl)methyl]-2-phenylethanamine
CID 2063752
N-[(2-chlorophenyl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 43222892
1-[(2-chlorophenyl)methyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111174467
N-[(3,5-dimethylphenyl)methyl]-2-(4-nitrophenyl)ethanamine
CID 61218332
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
CID 75531511
N-[[2-chloro-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 66531518

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine (CID 43519911) is N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine is O=[N+]([O-])c1ccc(CCNCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine?
The InChIKey is RALVTQCGXMFCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-15-4-2-1-3-13(15)11-17-10-9-12-5-7-14(8-6-12)18(19)20/h1-8,17H,9-11H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine?
N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine has a molecular weight of 290.75 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 43519911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).