2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol

C14H16N2O4 — CID 115345080

IUPAC2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
SMILESC[C@@H](NCC(O)c1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C14H16N2O4/c1-10(14-3-2-8-20-14)15-9-13(17)11-4-6-12(7-5-11)16(18)19/h2-8,10,13,15,17H,9H2,1H3/t10-,13?/m1/s1
InChIKeySBHXTSINCPBQTG-VUUHIHSGSA-N
MW276.29 g/mol
LogP2.57
Rot. Bonds6

About 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol

2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol (PubChem CID 115345080) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
PubChem CID115345080
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
SMILESC[C@@H](NCC(O)c1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C14H16N2O4/c1-10(14-3-2-8-20-14)15-9-13(17)11-4-6-12(7-5-11)16(18)19/h2-8,10,13,15,17H,9H2,1H3/t10-,13?/m1/s1
InChIKeySBHXTSINCPBQTG-VUUHIHSGSA-N
XLogP2.57
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.57
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

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-(4-propan-2-ylphenyl)ethanol
CID 81399726
N-[(1S)-1-(furan-2-yl)ethyl]-1-(4-nitrophenyl)ethanamine
CID 81403263
1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 115345078
2-(3-methylbutan-2-ylamino)-1-(4-nitrophenyl)ethanol
CID 81344643
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 81392609
1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol
CID 78956198
(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
CID 175021813
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
2-(2,2-difluoroethylamino)-1-(4-nitrophenyl)ethanol
CID 115406788
(2S,4R)-4-methyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pentan-2-ol
CID 129378741
(1R,3S)-1-(4-nitrophenyl)butane-1,3-diol
CID 54753607

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol?
The IUPAC name of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol (CID 115345080) is 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol is C[C@@H](NCC(O)c1ccc([N+](=O)[O-])cc1)c1ccco1.
What is the InChIKey of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol?
The InChIKey is SBHXTSINCPBQTG-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10(14-3-2-8-20-14)15-9-13(17)11-4-6-12(7-5-11)16(18)19/h2-8,10,13,15,17H,9H2,1H3/t10-,13?/m1/s1.
What are the key properties of 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol?
2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol has a molecular weight of 276.29 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 115345080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).