N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine

C13H13N3O3 — CID 55075198

IUPACN-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine
SMILESCNc1cc(COc2cccc([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C13H13N3O3/c1-14-13-7-10(5-6-15-13)9-19-12-4-2-3-11(8-12)16(17)18/h2-8H,9H2,1H3,(H,14,15)
InChIKeySANZGSLXZIWCTK-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.61
Rot. Bonds5

About N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine

N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 55075198) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID55075198
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine
SMILESCNc1cc(COc2cccc([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C13H13N3O3/c1-14-13-7-10(5-6-15-13)9-19-12-4-2-3-11(8-12)16(17)18/h2-8H,9H2,1H3,(H,14,15)
InChIKeySANZGSLXZIWCTK-UHFFFAOYSA-N
XLogP2.61
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.61
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-[(3-nitrophenoxy)methyl]pyridine-2-carboxylic acid
CID 63884784
1-nitro-3-[[3-[(3-nitrophenyl)methoxy]phenoxy]methyl]benzene
CID 3841290
N-methyl-4-[(2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62464959
1-ethyl-3-[(3-nitrophenyl)methoxy]benzene
CID 60627241
ethane;1-nitro-3-(phenoxymethyl)benzene
CID 142321514
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
4-[(4-ethoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62464065
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
CID 60880181
1-[(3-fluorophenoxy)methyl]-3-nitrobenzene
CID 60628017
3-[(3-nitrophenoxy)methyl]benzoic acid
CID 14974400
6-[(3-nitrophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 32702957
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine (CID 55075198) is N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine is CNc1cc(COc2cccc([N+](=O)[O-])c2)ccn1.
What is the InChIKey of N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is SANZGSLXZIWCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-14-13-7-10(5-6-15-13)9-19-12-4-2-3-11(8-12)16(17)18/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine?
N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 259.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 55075198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).