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

C15H17N3O3 — CID 26448919

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
SMILESCc1cccc(OCCN(C)c2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-12-5-3-6-13(11-12)21-10-9-17(2)15-14(18(19)20)7-4-8-16-15/h3-8,11H,9-10H2,1-2H3
InChIKeyWCIBFFQEUJNZJJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.81
Rot. Bonds6

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

N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine (PubChem CID 26448919) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
PubChem CID26448919
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
SMILESCc1cccc(OCCN(C)c2ncccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H17N3O3/c1-12-5-3-6-13(11-12)21-10-9-17(2)15-14(18(19)20)7-4-8-16-15/h3-8,11H,9-10H2,1-2H3
InChIKeyWCIBFFQEUJNZJJ-UHFFFAOYSA-N
XLogP2.81
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
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

N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine
CID 26449184
4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-3-nitrobenzamide
CID 26448917
1-[2-(3-methylphenoxy)ethoxy]-2-nitrobenzene
CID 112781476
N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 133489848
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 9112758
N,4,6-trimethyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 78845383
N'-(3-methoxyphenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)propane-1,3-diamine
CID 57000020
2-[methyl-(3-nitro-2-pyridinyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9196076
4,6-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]pyridine-3-carbonitrile
CID 26448932
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
2-(3-methylphenoxy)ethyl 2-methyl-3-nitrobenzoate
CID 2564217

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine (CID 26448919) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine is Cc1cccc(OCCN(C)c2ncccc2[N+](=O)[O-])c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine?
The InChIKey is WCIBFFQEUJNZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-12-5-3-6-13(11-12)21-10-9-17(2)15-14(18(19)20)7-4-8-16-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine?
N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 26448919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).