2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine

C23H24N2O4 — CID 175819744

IUPAC2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1CCNCc1ccccc1-c1ccccc1
InChIInChI=1S/C23H24N2O4/c1-28-22-15-21(25(26)27)23(29-2)14-18(22)12-13-24-16-19-10-6-7-11-20(19)17-8-4-3-5-9-17/h3-11,14-15,24H,12-13,16H2,1-2H3
InChIKeyLXUVMUYFLPADGJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.61
Rot. Bonds9

About 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine

2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine (PubChem CID 175819744) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine
PubChem CID175819744
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1CCNCc1ccccc1-c1ccccc1
InChIInChI=1S/C23H24N2O4/c1-28-22-15-21(25(26)27)23(29-2)14-18(22)12-13-24-16-19-10-6-7-11-20(19)17-8-4-3-5-9-17/h3-11,14-15,24H,12-13,16H2,1-2H3
InChIKeyLXUVMUYFLPADGJ-UHFFFAOYSA-N
XLogP4.61
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(3-chlorophenyl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]ethanamine
CID 2250821
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide
CID 46637806
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
2-(2,5-dimethoxy-4-propylphenyl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 165123651
2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
CID 10001761
2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
CID 24517004
2-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]ethanamine
CID 2054432
2-(2,5-dimethoxy-4-nitrophenyl)acetonitrile
CID 91620311
N-[(2-nitrophenyl)methyl]-2-phenylethanamine
CID 2063752
N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63793575

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine?
The IUPAC name of 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine (CID 175819744) is 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine is COc1cc([N+](=O)[O-])c(OC)cc1CCNCc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine?
The InChIKey is LXUVMUYFLPADGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-22-15-21(25(26)27)23(29-2)14-18(22)12-13-24-16-19-10-6-7-11-20(19)17-8-4-3-5-9-17/h3-11,14-15,24H,12-13,16H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine?
2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine has a molecular weight of 392.46 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 175819744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).