1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine

C15H17N3O2 — CID 43297299

IUPAC1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine
SMILESCC(NCCc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O2/c1-12(13-5-7-15(8-6-13)18(19)20)16-11-9-14-4-2-3-10-17-14/h2-8,10,12,16H,9,11H2,1H3
InChIKeyFYBFZYAOPDFQLX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.88
Rot. Bonds6

About 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine

1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine (PubChem CID 43297299) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine
PubChem CID43297299
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine
SMILESCC(NCCc1ccccn1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O2/c1-12(13-5-7-15(8-6-13)18(19)20)16-11-9-14-4-2-3-10-17-14/h2-8,10,12,16H,9,11H2,1H3
InChIKeyFYBFZYAOPDFQLX-UHFFFAOYSA-N
XLogP2.88
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.88
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-[2-(2-fluorophenyl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 43297293
1-(3-nitrophenyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 43246213
N-[1-(4-nitrophenyl)ethyl]-3-phenylpropan-1-amine
CID 43297352
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
1-(4-nitrophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64548130
N-[(3-ethyl-2-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 82732360
2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 23104828
4-methyl-N-[1-(4-nitrophenyl)ethyl]pentan-1-amine
CID 54914062
3,3-dimethyl-N-[1-(4-nitrophenyl)ethyl]butan-1-amine
CID 113260560
N-[1-(4-nitrophenyl)ethyl]octan-1-amine
CID 115566762
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 60858170
N'-methyl-N-[1-(4-nitrophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 62635051

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine?
The IUPAC name of 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine (CID 43297299) is 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine is CC(NCCc1ccccn1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine?
The InChIKey is FYBFZYAOPDFQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12(13-5-7-15(8-6-13)18(19)20)16-11-9-14-4-2-3-10-17-14/h2-8,10,12,16H,9,11H2,1H3.
What are the key properties of 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine?
1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine has a molecular weight of 271.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 43297299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).