N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine

C16H19N3O2 — CID 82732360

IUPACN-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
SMILESCCc1cccnc1CNC(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H19N3O2/c1-3-13-5-4-10-17-16(13)11-18-12(2)14-6-8-15(9-7-14)19(20)21/h4-10,12,18H,3,11H2,1-2H3
InChIKeyLKACVUBJLHMDNL-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.40
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine

N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine (PubChem CID 82732360) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
PubChem CID82732360
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
SMILESCCc1cccnc1CNC(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H19N3O2/c1-3-13-5-4-10-17-16(13)11-18-12(2)14-6-8-15(9-7-14)19(20)21/h4-10,12,18H,3,11H2,1-2H3
InChIKeyLKACVUBJLHMDNL-UHFFFAOYSA-N
XLogP3.40
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-methylphenyl)ethanamine
CID 82732936
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
5-[1-[(3-ethyl-2-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707041
1-(5-chlorothiophen-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 114082779
1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43297299
N-[(6-methyl-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 62995614
N-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297293
N-[1-(4-nitrophenyl)ethyl]octan-1-amine
CID 115566762
2-ethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 115718046
1-(4-nitrophenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79822798
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749
1-(4-ethylphenyl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 43223746

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine (CID 82732360) is N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine is CCc1cccnc1CNC(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine?
The InChIKey is LKACVUBJLHMDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-13-5-4-10-17-16(13)11-18-12(2)14-6-8-15(9-7-14)19(20)21/h4-10,12,18H,3,11H2,1-2H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine?
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine has a molecular weight of 285.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine is sourced from PubChem (CID 82732360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).