2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine

C15H17N3O3 — CID 43706375

IUPAC2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine
SMILESCCOc1ncccc1NC(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c1-3-21-15-13(8-6-10-16-15)17-11(2)12-7-4-5-9-14(12)18(19)20/h4-11,17H,3H2,1-2H3
InChIKeyRQHUHWWJIUALPG-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.56
Rot. Bonds6

About 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine

2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine (PubChem CID 43706375) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine
PubChem CID43706375
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine
SMILESCCOc1ncccc1NC(C)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H17N3O3/c1-3-21-15-13(8-6-10-16-15)17-11(2)12-7-4-5-9-14(12)18(19)20/h4-11,17H,3H2,1-2H3
InChIKeyRQHUHWWJIUALPG-UHFFFAOYSA-N
XLogP3.56
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-ethoxy-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43706285
2-[1-(2-nitrophenyl)ethylamino]benzoic acid
CID 43139514
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethoxypyridin-3-amine
CID 43706442
2-[(2-ethoxy-3-pyridinyl)amino]propanoic acid
CID 66173717
2-N-(2-ethoxy-3-pyridinyl)propane-1,2-diamine
CID 103388376
2-ethoxy-N-(3-methoxybutan-2-yl)pyridin-3-amine
CID 115922159
2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
CID 43706113
3-nitro-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 43397780
4-methoxy-2-methyl-N-[1-(2-nitrophenyl)ethyl]aniline
CID 62867174
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
N-[1-(2-chlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721825
ethyl (2S)-2-[(3-nitro-2-pyridinyl)oxy]propanoate
CID 40547203

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine (CID 43706375) is 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine is CCOc1ncccc1NC(C)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine?
The InChIKey is RQHUHWWJIUALPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-21-15-13(8-6-10-16-15)17-11(2)12-7-4-5-9-14(12)18(19)20/h4-11,17H,3H2,1-2H3.
What are the key properties of 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine?
2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine has a molecular weight of 287.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(2-nitrophenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 43706375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).