1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol

C14H16N2O3S — CID 115345078

IUPAC1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C14H16N2O3S/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
InChIKeyCOLITWNVWASVMQ-VUUHIHSGSA-N
MW292.36 g/mol
LogP3.04
Rot. Bonds6

About 1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol

1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol (PubChem CID 115345078) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
PubChem CID115345078
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc([N+](=O)[O-])cc1)c1cccs1
InChIInChI=1S/C14H16N2O3S/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
InChIKeyCOLITWNVWASVMQ-VUUHIHSGSA-N
XLogP3.04
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.04
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-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(4-nitrophenyl)ethanol
CID 115345080
2-(3-methylbutan-2-ylamino)-1-(4-nitrophenyl)ethanol
CID 81344643
N-[2-(4-nitrophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 43534507
1-(4-nitrophenyl)-2-(1-pyridin-3-ylethylamino)ethanol
CID 78956198
(1R)-1-(3-chlorophenyl)-2-[1-(4-nitrophenyl)ethylamino]ethanol
CID 175021813
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
CID 54938378
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 43001530
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-thiophen-2-ylethanol
CID 81347026
(2S,4R)-4-methyl-5-[[(1R)-1-(4-nitrophenyl)ethyl]amino]pentan-2-ol
CID 129378741
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
CID 2211824

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol?
The IUPAC name of 1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol (CID 115345078) is 1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol.
What is the SMILES notation for 1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol?
The canonical SMILES for 1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol is C[C@@H](NCC(O)c1ccc([N+](=O)[O-])cc1)c1cccs1.
What is the InChIKey of 1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol?
The InChIKey is COLITWNVWASVMQ-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H16N2O3S/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 1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol?
1-(4-nitrophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol has a molecular weight of 292.36 g/mol, XLogP of 3.04, 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-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol is sourced from PubChem (CID 115345078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).