N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride

C15H17ClN2O2 — CID 12915154

IUPACN-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-16-14(12-7-3-2-4-8-12)11-13-9-5-6-10-15(13)17(18)19;/h2-10,14,16H,11H2,1H3;1H
InChIKeyYXZZBIRKHQYWPB-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.52
Rot. Bonds5

About N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride

N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride (PubChem CID 12915154) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
PubChem CID12915154
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1.Cl
InChIInChI=1S/C15H16N2O2.ClH/c1-16-14(12-7-3-2-4-8-12)11-13-9-5-6-10-15(13)17(18)19;/h2-10,14,16H,11H2,1H3;1H
InChIKeyYXZZBIRKHQYWPB-UHFFFAOYSA-N
XLogP3.52
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.52
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

N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
CID 61078233
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
N-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine
CID 63199809
1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(3-chloro-4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 103222354
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
N-methyl-1-(5-nitrofuran-2-yl)-2-(2-nitrophenyl)ethanamine
CID 61078228
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 81481100
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
1-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080227

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride (CID 12915154) is N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride is CNC(Cc1ccccc1[N+](=O)[O-])c1ccccc1.Cl.
What is the InChIKey of N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride?
The InChIKey is YXZZBIRKHQYWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.ClH/c1-16-14(12-7-3-2-4-8-12)11-13-9-5-6-10-15(13)17(18)19;/h2-10,14,16H,11H2,1H3;1H.
What are the key properties of N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride?
N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride has a molecular weight of 292.77 g/mol, XLogP of 3.52, 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-nitrophenyl)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 12915154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).