(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol

C11H16N2O3 — CID 103906316

IUPAC(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
SMILESCC(NC[C@H](C)O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-8(14)7-12-9(2)10-5-3-4-6-11(10)13(15)16/h3-6,8-9,12,14H,7H2,1-2H3/t8-,9?/m0/s1
InChIKeyUHDFAXSDAMNOAE-IENPIDJESA-N
MW224.26 g/mol
LogP1.63
Rot. Bonds5

About (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol

(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol (PubChem CID 103906316) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
PubChem CID103906316
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol
SMILESCC(NC[C@H](C)O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H16N2O3/c1-8(14)7-12-9(2)10-5-3-4-6-11(10)13(15)16/h3-6,8-9,12,14H,7H2,1-2H3/t8-,9?/m0/s1
InChIKeyUHDFAXSDAMNOAE-IENPIDJESA-N
XLogP1.63
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
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

1,1-difluoro-3-[1-(2-nitrophenyl)ethylamino]propan-2-ol
CID 103788038
2-methyl-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 65031967
1-(2-nitrophenyl)-2-(propan-2-ylamino)ethanol
CID 54182099
N-[(2-ethylphenyl)methyl]-1-(2-nitrophenyl)ethanamine
CID 64681766
N-ethyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 43566906
2,2-difluoro-3-[1-(2-nitrophenyl)ethylamino]propan-1-ol
CID 104860613
1-methoxy-4-[1-(2-nitrophenyl)ethylamino]butan-2-ol
CID 103906001
N-[1-(2-nitrophenyl)ethyl]propan-2-amine
CID 43147503
N-(cyclobutylmethyl)-1-(2-nitrophenyl)ethanamine
CID 43298232
2-[1-(2-nitrophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115663609
N-ethyl-N-methyl-2-[1-(2-nitrophenyl)ethylamino]acetamide
CID 103916425
(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
CID 93033289

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol?
The IUPAC name of (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol (CID 103906316) is (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol is CC(NC[C@H](C)O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol?
The InChIKey is UHDFAXSDAMNOAE-IENPIDJESA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8(14)7-12-9(2)10-5-3-4-6-11(10)13(15)16/h3-6,8-9,12,14H,7H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol?
(2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol has a molecular weight of 224.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2-nitrophenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 103906316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).