2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine

C14H15N3O2 — CID 63063473

IUPAC2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESO=[N+]([O-])c1ccccc1CCNCc1ccccn1
InChIInChI=1S/C14H15N3O2/c18-17(19)14-7-2-1-5-12(14)8-10-15-11-13-6-3-4-9-16-13/h1-7,9,15H,8,10-11H2
InChIKeyYUWXTGKCQVOAGI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.32
Rot. Bonds6

About 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine

2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 63063473) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID63063473
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine
SMILESO=[N+]([O-])c1ccccc1CCNCc1ccccn1
InChIInChI=1S/C14H15N3O2/c18-17(19)14-7-2-1-5-12(14)8-10-15-11-13-6-3-4-9-16-13/h1-7,9,15H,8,10-11H2
InChIKeyYUWXTGKCQVOAGI-UHFFFAOYSA-N
XLogP2.32
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine
CID 63746291
N-[(2-nitrophenyl)methyl]-2-phenylethanamine
CID 2063752
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
N-[(2-nitrophenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183485
N-[(2,5-difluorophenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63793575
N-[(3-bromophenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063144
2-(2-nitrophenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 27554275
1,1-dimethyl-2-[2-(2-nitrophenyl)ethyl]hydrazine
CID 83014156
N-[2-(2-nitrophenyl)ethyl]pentan-1-amine
CID 55145861

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine (CID 63063473) is 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine is O=[N+]([O-])c1ccccc1CCNCc1ccccn1.
What is the InChIKey of 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is YUWXTGKCQVOAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-17(19)14-7-2-1-5-12(14)8-10-15-11-13-6-3-4-9-16-13/h1-7,9,15H,8,10-11H2.
What are the key properties of 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine?
2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 257.29 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 63063473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).