N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine

C15H16N2O2 — CID 70526634

IUPACN-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine
SMILESCNCCc1ccccc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O2/c1-16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)17(18)19/h2-9,16H,10-11H2,1H3
InChIKeyNSAXEHGBTRRQIV-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.02
Rot. Bonds5

About N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine

N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine (PubChem CID 70526634) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine
PubChem CID70526634
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine
SMILESCNCCc1ccccc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H16N2O2/c1-16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)17(18)19/h2-9,16H,10-11H2,1H3
InChIKeyNSAXEHGBTRRQIV-UHFFFAOYSA-N
XLogP3.02
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.02
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'}

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Related Compounds

1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
N-[2-(2-nitrophenyl)ethyl]pentan-3-amine
CID 55145860
3-methyl-N-[2-(2-nitrophenyl)ethyl]butan-2-amine
CID 63062789
N-[2-(2-nitrophenyl)ethyl]acetamide;hydrochloride
CID 119093580
N-(2-methoxyethoxy)-2-(2-nitrophenyl)ethanamine
CID 82722032
N-[2-(2-nitrophenyl)ethyl]pentan-1-amine
CID 55145861
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
(2S)-2-amino-N-[2-(2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 119334599
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine (CID 70526634) is N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine is CNCCc1ccccc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine?
The InChIKey is NSAXEHGBTRRQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-16-11-10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)17(18)19/h2-9,16H,10-11H2,1H3.
What are the key properties of N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine?
N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-nitrophenyl)phenyl]ethanamine is sourced from PubChem (CID 70526634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).