[6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine

C15H17N3O3 — CID 79156356

IUPAC[6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine
SMILESCc1ccc(OCCc2ccccc2[N+](=O)[O-])c(CN)n1
InChIInChI=1S/C15H17N3O3/c1-11-6-7-15(13(10-16)17-11)21-9-8-12-4-2-3-5-14(12)18(19)20/h2-7H,8-10,16H2,1H3
InChIKeyDYWYQSNDCCAWCD-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.38
Rot. Bonds6

About [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine

[6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine (PubChem CID 79156356) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine
PubChem CID79156356
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine
SMILESCc1ccc(OCCc2ccccc2[N+](=O)[O-])c(CN)n1
InChIInChI=1S/C15H17N3O3/c1-11-6-7-15(13(10-16)17-11)21-9-8-12-4-2-3-5-14(12)18(19)20/h2-7H,8-10,16H2,1H3
InChIKeyDYWYQSNDCCAWCD-UHFFFAOYSA-N
XLogP2.38
TPSA91.28 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 ≤ 52.38
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 [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine 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-chloro-6-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 79156359
2-fluoro-1-methyl-3-[2-(2-nitrophenyl)ethoxy]benzene
CID 107661881
2-(chloromethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349922
2-(bromomethyl)-3-[(2-fluoro-3-nitrophenyl)methoxy]-6-methylpyridine
CID 107349923
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 114524856
1-[2-[2-(2-nitrophenyl)ethoxy]phenyl]ethanol
CID 63062121
N-methyl-1-[6-methyl-3-(2-pyridin-2-ylethoxy)-2-pyridinyl]methanamine
CID 79151107
[3-[(3-fluoro-5-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanamine
CID 115980216
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
[6-methyl-3-(4,4,4-trifluorobutoxy)-2-pyridinyl]methanamine
CID 113326257
3-[[2-(aminomethyl)-6-methyl-3-pyridinyl]oxy]-N-methylpropanamide
CID 79162338

Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine?
The IUPAC name of [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine (CID 79156356) is [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine.
What is the SMILES notation for [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine?
The canonical SMILES for [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine is Cc1ccc(OCCc2ccccc2[N+](=O)[O-])c(CN)n1.
What is the InChIKey of [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine?
The InChIKey is DYWYQSNDCCAWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-6-7-15(13(10-16)17-11)21-9-8-12-4-2-3-5-14(12)18(19)20/h2-7H,8-10,16H2,1H3.
What are the key properties of [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine?
[6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine has a molecular weight of 287.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-[2-(2-nitrophenyl)ethoxy]-2-pyridinyl]methanamine is sourced from PubChem (CID 79156356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).