1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol

C15H17N3O3 — CID 78956198

IUPAC1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol
SMILESCC(NCC(O)c1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C15H17N3O3/c1-11(13-3-2-8-16-9-13)17-10-15(19)12-4-6-14(7-5-12)18(20)21/h2-9,11,15,17,19H,10H2,1H3
InChIKeyBOIUEBMQGUZKSO-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.37
Rot. Bonds6

About 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol

1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol (PubChem CID 78956198) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol
PubChem CID78956198
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol
SMILESCC(NCC(O)c1ccc([N+](=O)[O-])cc1)c1cccnc1
InChIInChI=1S/C15H17N3O3/c1-11(13-3-2-8-16-9-13)17-10-15(19)12-4-6-14(7-5-12)18(20)21/h2-9,11,15,17,19H,10H2,1H3
InChIKeyBOIUEBMQGUZKSO-UHFFFAOYSA-N
XLogP2.37
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
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

1-phenyl-2-(1-pyridin-3-ylethylamino)ethanol
CID 43499221
(1S)-1-(4-methylphenyl)-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethanol
CID 97158238
4-[1-hydroxy-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81403976
(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
CID 175021813
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 115345078
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
CID 115345080
2-(3-methylbutan-2-ylamino)-1-(4-nitrophenyl)ethanol
CID 81344643
(1S)-N-[(2-bromo-4-nitrophenyl)methyl]-1-pyridin-3-ylethanamine
CID 81405020
1-(3-nitrophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43181736
(2S,4R)-4-methyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pentan-2-ol
CID 129378741
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol?
The IUPAC name of 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol (CID 78956198) is 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol.
What is the SMILES notation for 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol?
The canonical SMILES for 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol is CC(NCC(O)c1ccc([N+](=O)[O-])cc1)c1cccnc1.
What is the InChIKey of 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol?
The InChIKey is BOIUEBMQGUZKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11(13-3-2-8-16-9-13)17-10-15(19)12-4-6-14(7-5-12)18(20)21/h2-9,11,15,17,19H,10H2,1H3.
What are the key properties of 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol?
1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol has a molecular weight of 287.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol is sourced from PubChem (CID 78956198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).