N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine

C14H15N3O2 — CID 61078233

IUPACN-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C14H15N3O2/c1-15-13(11-6-8-16-9-7-11)10-12-4-2-3-5-14(12)17(18)19/h2-9,13,15H,10H2,1H3
InChIKeyJYBYHTZLUHZGSD-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine

N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine (PubChem CID 61078233) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
PubChem CID61078233
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine
SMILESCNC(Cc1ccccc1[N+](=O)[O-])c1ccncc1
InChIInChI=1S/C14H15N3O2/c1-15-13(11-6-8-16-9-7-11)10-12-4-2-3-5-14(12)17(18)19/h2-9,13,15H,10H2,1H3
InChIKeyJYBYHTZLUHZGSD-UHFFFAOYSA-N
XLogP2.49
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.49
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'}

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Related Compounds

N-methyl-2-(2-nitrophenyl)-1-phenylethanamine;hydrochloride
CID 12915154
1-(4-iodophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61078222
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
1-(2-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 12909659
1-(2-chlorofuran-3-yl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 106687794
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-ethyl-2-(2-nitrophenyl)-1-phenylethanamine
CID 12915155
N-methyl-2-(4-methyl-2-nitrophenyl)-1-phenylethanamine
CID 63199809
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-(2,3-dichlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 61080227

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine (CID 61078233) is N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine is CNC(Cc1ccccc1[N+](=O)[O-])c1ccncc1.
What is the InChIKey of N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine?
The InChIKey is JYBYHTZLUHZGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-15-13(11-6-8-16-9-7-11)10-12-4-2-3-5-14(12)17(18)19/h2-9,13,15H,10H2,1H3.
What are the key properties of N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine?
N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine has a molecular weight of 257.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-nitrophenyl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 61078233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).