6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine

C15H17N3O3 — CID 103112015

IUPAC6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine
SMILESCCOc1cccc(NCc2cccc([N+](=O)[O-])c2C)n1
InChIInChI=1S/C15H17N3O3/c1-3-21-15-9-5-8-14(17-15)16-10-12-6-4-7-13(11(12)2)18(19)20/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyREMHOEDLKXFSFM-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.31
Rot. Bonds6

About 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine

6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine (PubChem CID 103112015) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine
PubChem CID103112015
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine
SMILESCCOc1cccc(NCc2cccc([N+](=O)[O-])c2C)n1
InChIInChI=1S/C15H17N3O3/c1-3-21-15-9-5-8-14(17-15)16-10-12-6-4-7-13(11(12)2)18(19)20/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyREMHOEDLKXFSFM-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'}

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Related Compounds

4-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-2-amine
CID 103111788
6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 103113863
2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 103112013
N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine
CID 103110789
6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 63591480
6-chloro-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 106196938
6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine
CID 103112008
N-[(2-methyl-3-nitrophenyl)methyl]-5-nitropyrimidin-2-amine
CID 103111976
2-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidine-2,4-diamine
CID 103113864
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
2-chloro-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 106196949

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine (CID 103112015) is 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine is CCOc1cccc(NCc2cccc([N+](=O)[O-])c2C)n1.
What is the InChIKey of 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine?
The InChIKey is REMHOEDLKXFSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-21-15-9-5-8-14(17-15)16-10-12-6-4-7-13(11(12)2)18(19)20/h4-9H,3,10H2,1-2H3,(H,16,17).
What are the key properties of 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine?
6-ethoxy-N-[(2-methyl-3-nitrophenyl)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 6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 103112015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).