N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine

C15H17N3O3 — CID 27818248

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCOc1ccc(C)cc1CCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C15H17N3O3/c1-11-3-5-14(21-2)12(9-11)7-8-16-15-6-4-13(10-17-15)18(19)20/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyHYMUPBSBYNJUPS-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine

N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine (PubChem CID 27818248) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine
PubChem CID27818248
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCOc1ccc(C)cc1CCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C15H17N3O3/c1-11-3-5-14(21-2)12(9-11)7-8-16-15-6-4-13(10-17-15)18(19)20/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyHYMUPBSBYNJUPS-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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'}

Analyze N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
1-(2-methoxy-5-methylphenyl)-3-(5-nitro-2-pyridinyl)thiourea
CID 19686414
N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 133287452
N-[2-(2-methoxy-5-nitrophenyl)ethyl]-2-methylpropan-2-amine
CID 62548144
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55756772
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine
CID 103604260
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146824
N-(2-methoxyethyl)-2-(2-methoxy-5-nitrophenyl)ethanamine
CID 62550623
1-[(2-methoxy-5-nitrophenyl)methoxy]-2,4-dimethylbenzene
CID 60656948

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine (CID 27818248) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine is COc1ccc(C)cc1CCNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is HYMUPBSBYNJUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-3-5-14(21-2)12(9-11)7-8-16-15-6-4-13(10-17-15)18(19)20/h3-6,9-10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 27818248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).