N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine

C21H20N2O2 — CID 2851831

IUPACN-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine
SMILESO=[N+]([O-])c1ccccc1CNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-23(25)21-14-8-7-13-19(21)16-22-20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,20,22H,15-16H2
InChIKeyTXXPHWMGKXGHGL-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.67
Rot. Bonds7

About N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine

N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine (PubChem CID 2851831) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine.

Molecular Properties

Compound NameN-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine
PubChem CID2851831
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine
SMILESO=[N+]([O-])c1ccccc1CNC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-23(25)21-14-8-7-13-19(21)16-22-20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,20,22H,15-16H2
InChIKeyTXXPHWMGKXGHGL-UHFFFAOYSA-N
XLogP4.67
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.67
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 N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine 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

3-[(2-nitrophenyl)methylamino]-3-phenylpropanenitrile
CID 62778720
N-[(2-nitrophenyl)methyl]-1,1-diphenylmethanamine
CID 30789921
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-1,2-diphenylethanamine;oxalic acid
CID 17367398
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
4-[(2-nitrophenyl)methylamino]-5-phenylpentanoic acid
CID 122045850
N-[(2-nitrophenyl)methyl]-4-phenylbutan-2-amine
CID 43182145
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,2-diphenylethanamine
CID 16595049
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
N-(cyclohexylmethyl)-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915162
N-[(5-fluoro-2-nitrophenyl)methyl]-1-phenylpropan-1-amine
CID 62305224

Frequently Asked Questions

What is the IUPAC name of N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine?
The IUPAC name of N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine (CID 2851831) is N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine.
What is the SMILES notation for N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine?
The canonical SMILES for N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine is O=[N+]([O-])c1ccccc1CNC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine?
The InChIKey is TXXPHWMGKXGHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-23(25)21-14-8-7-13-19(21)16-22-20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-14,20,22H,15-16H2.
What are the key properties of N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine?
N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine has a molecular weight of 332.40 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-nitrophenyl)methyl]-1,2-diphenylethanamine is sourced from PubChem (CID 2851831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).