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

C15H17N3O3 — CID 79165242

IUPAC4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
SMILESCc1cccc(OCCNc2cc(C)c([N+](=O)[O-])cn2)c1
InChIInChI=1S/C15H17N3O3/c1-11-4-3-5-13(8-11)21-7-6-16-15-9-12(2)14(10-17-15)18(19)20/h3-5,8-10H,6-7H2,1-2H3,(H,16,17)
InChIKeyPHNKAETUVVPXRK-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.10
Rot. Bonds6

About 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine

4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine (PubChem CID 79165242) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
PubChem CID79165242
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
SMILESCc1cccc(OCCNc2cc(C)c([N+](=O)[O-])cn2)c1
InChIInChI=1S/C15H17N3O3/c1-11-4-3-5-13(8-11)21-7-6-16-15-9-12(2)14(10-17-15)18(19)20/h3-5,8-10H,6-7H2,1-2H3,(H,16,17)
InChIKeyPHNKAETUVVPXRK-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
4-methyl-N-[3-(2-methylphenoxy)propyl]-5-nitropyridin-2-amine
CID 133329317
5-methyl-4-nitro-N-(3-phenoxypropyl)pyridin-2-amine
CID 83266871
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
2-[2-[(4-methyl-5-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 79457851
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-4-methyl-5-nitropyridin-2-amine
CID 133343558
2-methyl-N-[3-(3-methylphenoxy)propyl]-5-nitroaniline
CID 82096153
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
N-ethyl-N'-(4-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 79176524
2-bromo-N-[2-(3-methylphenoxy)ethyl]-4-nitroaniline
CID 63540119

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine (CID 79165242) is 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine is Cc1cccc(OCCNc2cc(C)c([N+](=O)[O-])cn2)c1.
What is the InChIKey of 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine?
The InChIKey is PHNKAETUVVPXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-4-3-5-13(8-11)21-7-6-16-15-9-12(2)14(10-17-15)18(19)20/h3-5,8-10H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine?
4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 79165242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).