N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine

C21H21N3O2 — CID 167788707

IUPACN-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine
SMILESCC(NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H21N3O2/c1-16(23-15-12-20-4-2-3-5-21(20)24(25)26)17-6-8-18(9-7-17)19-10-13-22-14-11-19/h2-11,13-14,16,23H,12,15H2,1H3
InChIKeyVHIVHHPEQOEBJT-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.55
Rot. Bonds7

About N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine

N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine (PubChem CID 167788707) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine
PubChem CID167788707
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine
SMILESCC(NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H21N3O2/c1-16(23-15-12-20-4-2-3-5-21(20)24(25)26)17-6-8-18(9-7-17)19-10-13-22-14-11-19/h2-11,13-14,16,23H,12,15H2,1H3
InChIKeyVHIVHHPEQOEBJT-UHFFFAOYSA-N
XLogP4.55
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)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

(1S)-1-(4-methylphenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81349422
(1R)-1-(4-bromophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81356224
1-(4-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 63062284
4-nitro-3-[[[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]amino]methyl]phenol
CID 97088556
(1R)-1-(3-fluorophenyl)-N-[2-(2-nitrophenyl)ethyl]ethanamine
CID 81352544
3-methyl-N-[2-(2-nitrophenyl)ethyl]butan-2-amine
CID 63062789
(1R)-N-[(2-nitrophenyl)methyl]-1-phenylethanamine
CID 28564784
N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297293
N-[2-(2-nitrophenyl)ethyl]pentan-3-amine
CID 55145860
1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43223746
4-methyl-2-[2-(2-nitrophenyl)ethylamino]pentan-1-ol
CID 63062794
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine?
The IUPAC name of N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine (CID 167788707) is N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine.
What is the SMILES notation for N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine?
The canonical SMILES for N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine is CC(NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine?
The InChIKey is VHIVHHPEQOEBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16(23-15-12-20-4-2-3-5-21(20)24(25)26)17-6-8-18(9-7-17)19-10-13-22-14-11-19/h2-11,13-14,16,23H,12,15H2,1H3.
What are the key properties of N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine?
N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine has a molecular weight of 347.42 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-nitrophenyl)ethyl]-1-(4-pyridin-4-ylphenyl)ethanamine is sourced from PubChem (CID 167788707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).