N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine

C15H16N2O3 — CID 132578102

IUPACN,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine
SMILESCN(C)Cc1ccccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-16(2)11-12-6-3-4-9-15(12)20-14-8-5-7-13(10-14)17(18)19/h3-10H,11H2,1-2H3
InChIKeyWWUIEOOOLRCGKN-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.45
Rot. Bonds5

About N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine

N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine (PubChem CID 132578102) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine
PubChem CID132578102
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine
SMILESCN(C)Cc1ccccc1Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H16N2O3/c1-16(2)11-12-6-3-4-9-15(12)20-14-8-5-7-13(10-14)17(18)19/h3-10H,11H2,1-2H3
InChIKeyWWUIEOOOLRCGKN-UHFFFAOYSA-N
XLogP3.45
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
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,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine 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

1-[2-(3-nitrophenoxy)phenyl]ethanol
CID 54915432
3-(2-ethylphenoxy)-5-nitroaniline
CID 80875741
2-(chloromethyl)-1-(3-chlorophenoxy)-4-nitrobenzene
CID 28964841
2-(chloromethyl)-4-nitro-1-(3-propan-2-ylphenoxy)benzene
CID 28964769
2-(chloromethyl)-1-(3-iodophenoxy)-4-nitrobenzene
CID 43327392
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanol
CID 61032421
4-(chloromethyl)-2-methyl-1-(3-nitrophenoxy)benzene
CID 63567497
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
1-(chloromethyl)-2-methyl-4-(3-nitrophenoxy)benzene
CID 62129985
2-[(dimethylamino)methyl]-N,N-dimethyl-4-nitroaniline
CID 69081137
N-[[3-fluoro-4-(3-nitrophenoxy)phenyl]methyl]ethanamine
CID 61031652

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine (CID 132578102) is N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine is CN(C)Cc1ccccc1Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine?
The InChIKey is WWUIEOOOLRCGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16(2)11-12-6-3-4-9-15(12)20-14-8-5-7-13(10-14)17(18)19/h3-10H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine?
N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine has a molecular weight of 272.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(3-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 132578102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).