4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine

C14H15N3O3 — CID 62464439

IUPAC4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine
SMILESCc1cc(C)c(OCc2ccnc(N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-9-5-10(2)14(12(6-9)17(18)19)20-8-11-3-4-16-13(15)7-11/h3-7H,8H2,1-2H3,(H2,15,16)
InChIKeyWACSKBGHZSOWCW-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.77
Rot. Bonds4

About 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine

4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 62464439) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID62464439
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine
SMILESCc1cc(C)c(OCc2ccnc(N)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H15N3O3/c1-9-5-10(2)14(12(6-9)17(18)19)20-8-11-3-4-16-13(15)7-11/h3-7H,8H2,1-2H3,(H2,15,16)
InChIKeyWACSKBGHZSOWCW-UHFFFAOYSA-N
XLogP2.77
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.77
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-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465352
2-chloro-5-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridine
CID 60727704
[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262177
4-[(2,3,6-trimethylphenoxy)methyl]pyridin-2-amine
CID 62464982
4-[(5-chloro-2-nitrophenoxy)methyl]pyridin-2-amine
CID 62466940
4-[(3,5-dimethylphenoxy)methyl]pyridin-2-amine
CID 62465468
[6-[(2,4-dimethyl-6-nitrophenoxy)methyl]-2-pyridinyl]hydrazine
CID 79231223
5-(2,4-dimethyl-6-nitrophenoxy)pyrazin-2-amine
CID 80664421
1-methyl-3,5-dinitro-2-[(4-nitrophenyl)methoxy]benzene
CID 165364462
6-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]pyridin-2-amine
CID 79841922
[5-[(2,4-dimethyl-6-nitrophenoxy)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614104
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine (CID 62464439) is 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine is Cc1cc(C)c(OCc2ccnc(N)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is WACSKBGHZSOWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-5-10(2)14(12(6-9)17(18)19)20-8-11-3-4-16-13(15)7-11/h3-7H,8H2,1-2H3,(H2,15,16).
What are the key properties of 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine?
4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-6-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62464439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).