N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine

C16H19N3O3 — CID 146212247

IUPACN,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine
SMILESCN(C)CCCOc1ncc([N+](=O)[O-])cc1-c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-18(2)9-6-10-22-16-15(13-7-4-3-5-8-13)11-14(12-17-16)19(20)21/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyANYPMBNRQXYQTG-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.99
Rot. Bonds7

About N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine

N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine (PubChem CID 146212247) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine
PubChem CID146212247
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine
SMILESCN(C)CCCOc1ncc([N+](=O)[O-])cc1-c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-18(2)9-6-10-22-16-15(13-7-4-3-5-8-13)11-14(12-17-16)19(20)21/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyANYPMBNRQXYQTG-UHFFFAOYSA-N
XLogP2.99
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
N,N-dimethyl-3-(2-phenylphenoxy)propan-1-amine
CID 2184471
3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
CID 86690158
3-[1-[(2-fluorophenyl)methyl]-5-nitroindazol-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 70686179
2-methoxy-5-nitro-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 134620874
2-[(3,5-dinitro-2-pyridinyl)oxy]benzoic acid
CID 134120284
6-[3-(dimethylamino)propoxy]-4-nitropyridin-2-amine
CID 114071350
N,N-dimethyl-4-(2-phenylphenoxy)butan-1-amine
CID 2182223
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
3-methoxy-2-(4-methylpentoxy)-5-nitropyridine
CID 58153349
3,5-dinitro-2-[2-(4-phenylmethoxyphenyl)ethoxy]pyridine
CID 139617790
3,5-dinitro-2-phenylpyridine
CID 14948543

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine (CID 146212247) is N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine is CN(C)CCCOc1ncc([N+](=O)[O-])cc1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine?
The InChIKey is ANYPMBNRQXYQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18(2)9-6-10-22-16-15(13-7-4-3-5-8-13)11-14(12-17-16)19(20)21/h3-5,7-8,11-12H,6,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine?
N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(5-nitro-3-phenyl-2-pyridinyl)oxy]propan-1-amine is sourced from PubChem (CID 146212247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).