N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine

C15H17N3O3 — CID 62466385

IUPACN-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine
SMILESCCNc1ncccc1COc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C15H17N3O3/c1-3-16-15-12(5-4-8-17-15)10-21-14-9-13(18(19)20)7-6-11(14)2/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyDLVJQRIYODLJBC-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.31
Rot. Bonds6

About N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine

N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 62466385) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID62466385
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine
SMILESCCNc1ncccc1COc1cc([N+](=O)[O-])ccc1C
InChIInChI=1S/C15H17N3O3/c1-3-16-15-12(5-4-8-17-15)10-21-14-9-13(18(19)20)7-6-11(14)2/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyDLVJQRIYODLJBC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
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-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-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

3-[(2-methyl-5-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63075197
2-chloro-3-[(2-methyl-4-nitrophenoxy)methyl]pyridine
CID 113338052
[3-[(2,5-dimethyl-4-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 63184291
N-ethyl-3-[(2-propoxyphenoxy)methyl]pyridin-2-amine
CID 62465153
N-methyl-3-[(3-methyl-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466380
2-[(2-methyl-4-nitrophenoxy)methyl]pyrimidine
CID 162519965
3-chloro-4-[(2-methyl-5-nitrophenoxy)methyl]thiophene
CID 174572989
3-[(2-bromo-5-nitrophenoxy)methyl]-2-chloropyridine
CID 102975217
[3-[(5-bromo-2-methylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 107285501
2-[(2-methyl-5-nitrophenoxy)methyl]pyridin-4-amine
CID 79251179
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 35389866
N-ethyl-3-[(2-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62467315

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine (CID 62466385) is N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine is CCNc1ncccc1COc1cc([N+](=O)[O-])ccc1C.
What is the InChIKey of N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is DLVJQRIYODLJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-16-15-12(5-4-8-17-15)10-21-14-9-13(18(19)20)7-6-11(14)2/h4-9H,3,10H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine?
N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-methyl-5-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62466385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).