N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine

C15H17N3O3 — CID 83110470

IUPACN-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(Oc2cc([N+](=O)[O-])ccc2C)cn1
InChIInChI=1S/C15H17N3O3/c1-10-4-5-12(18(19)20)8-15(10)21-13-6-7-14(17-9-13)11(2)16-3/h4-9,11,16H,1-3H3
InChIKeyZVDYGDVVJWYBNC-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.37
Rot. Bonds5

About N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine

N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine (PubChem CID 83110470) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
PubChem CID83110470
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(Oc2cc([N+](=O)[O-])ccc2C)cn1
InChIInChI=1S/C15H17N3O3/c1-10-4-5-12(18(19)20)8-15(10)21-13-6-7-14(17-9-13)11(2)16-3/h4-9,11,16H,1-3H3
InChIKeyZVDYGDVVJWYBNC-UHFFFAOYSA-N
XLogP3.37
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.37
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

1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83111430
(1R)-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83124262
N-methyl-1-[5-(3-methyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83110471
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83109459
(1S)-1-[5-(2-methoxy-4-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83109960
(1S)-1-[4-(2-methyl-5-nitrophenoxy)phenyl]ethanamine
CID 63370156
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
2-methyl-4-(2-methyl-5-nitrophenoxy)benzonitrile
CID 81282527
2-chloro-5-[4-(2-methyl-4-nitrophenoxy)phenoxy]pyridine
CID 155663614
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
4-(2-methyl-5-nitrophenoxy)benzaldehyde
CID 54915397
1-[5-(2-bromophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83127027

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine (CID 83110470) is N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine is CNC(C)c1ccc(Oc2cc([N+](=O)[O-])ccc2C)cn1.
What is the InChIKey of N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine?
The InChIKey is ZVDYGDVVJWYBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-4-5-12(18(19)20)8-15(10)21-13-6-7-14(17-9-13)11(2)16-3/h4-9,11,16H,1-3H3.
What are the key properties of N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine?
N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine has a molecular weight of 287.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methyl-5-nitrophenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83110470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).