N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine

C14H16N4O3 — CID 63237716

IUPACN-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCCOc1cccc(N)c1
InChIInChI=1S/C14H16N4O3/c1-10-7-12(18(19)20)9-17-14(10)16-5-6-21-13-4-2-3-11(15)8-13/h2-4,7-9H,5-6,15H2,1H3,(H,16,17)
InChIKeyZPYRBQIAWMPDDQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.37
Rot. Bonds6

About N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine

N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine (PubChem CID 63237716) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine
PubChem CID63237716
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCCOc1cccc(N)c1
InChIInChI=1S/C14H16N4O3/c1-10-7-12(18(19)20)9-17-14(10)16-5-6-21-13-4-2-3-11(15)8-13/h2-4,7-9H,5-6,15H2,1H3,(H,16,17)
InChIKeyZPYRBQIAWMPDDQ-UHFFFAOYSA-N
XLogP2.37
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

3-N-(3-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 55081029
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitroimidazol-4-amine
CID 63238026
3-methyl-N-[2-(2-methylpropoxy)ethyl]-5-nitropyridin-2-amine
CID 115618354
3-methyl-5-nitro-N-(2-phenylethyl)pyridin-2-amine
CID 62478044
N-[2-(3-aminophenoxy)ethyl]-3-methylpyrazin-2-amine
CID 83064262
3-methyl-N-[2-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 56571040
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
N-[2-(3-aminophenoxy)ethyl]-5-fluoro-2-nitroaniline
CID 63238025
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
2-methyl-5-nitro-N-(2-phenoxyethyl)aniline
CID 60720575

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine (CID 63237716) is N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCCOc1cccc(N)c1.
What is the InChIKey of N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine?
The InChIKey is ZPYRBQIAWMPDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10-7-12(18(19)20)9-17-14(10)16-5-6-21-13-4-2-3-11(15)8-13/h2-4,7-9H,5-6,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine?
N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminophenoxy)ethyl]-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 63237716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).