(1S)-2-amino-1-(3-nitrophenyl)ethanol

C8H10N2O3 — CID 55264567

IUPAC(1S)-2-amino-1-(3-nitrophenyl)ethanol
SMILESNC[C@@H](O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4,8,11H,5,9H2/t8-/m1/s1
InChIKeyRQHJQKOWMLMDBL-MRVPVSSYSA-N
MW182.18 g/mol
LogP0.59
Rot. Bonds3

About (1S)-2-amino-1-(3-nitrophenyl)ethanol

(1S)-2-amino-1-(3-nitrophenyl)ethanol (PubChem CID 55264567) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (1S)-2-amino-1-(3-nitrophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(3-nitrophenyl)ethanol
PubChem CID55264567
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(1S)-2-amino-1-(3-nitrophenyl)ethanol
SMILESNC[C@@H](O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4,8,11H,5,9H2/t8-/m1/s1
InChIKeyRQHJQKOWMLMDBL-MRVPVSSYSA-N
XLogP0.59
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.59
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

(4R)-1,4-dihydroxy-4-(3-nitrophenyl)butan-2-one
CID 102374268
(1R)-3,3,3-trifluoro-1-(3-nitrophenyl)propan-1-ol
CID 125489284
(1S)-3-methoxy-1-(3-nitrophenyl)but-3-en-1-ol
CID 101169098
2-(ethylamino)-1-(3-nitrophenyl)ethanol
CID 44719347
[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]-di(propan-2-yl)azanium
CID 7334170
2-[di(propan-2-yl)amino]-1-(3-nitrophenyl)ethanol;hydrochloride
CID 2900200
(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
(1S,2R)-1-amino-1-(3-nitrophenyl)propan-2-ol
CID 130639568
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
7-hydroxy-7-(3-nitrophenyl)heptanenitrile
CID 134903273
3-(3-nitrophenyl)pentane-2,4-diol
CID 10376360
2-hydroxy-2-(3-nitrophenyl)acetate
CID 19968019

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(3-nitrophenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(3-nitrophenyl)ethanol (CID 55264567) is (1S)-2-amino-1-(3-nitrophenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(3-nitrophenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(3-nitrophenyl)ethanol is NC[C@@H](O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (1S)-2-amino-1-(3-nitrophenyl)ethanol?
The InChIKey is RQHJQKOWMLMDBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4,8,11H,5,9H2/t8-/m1/s1.
What are the key properties of (1S)-2-amino-1-(3-nitrophenyl)ethanol?
(1S)-2-amino-1-(3-nitrophenyl)ethanol has a molecular weight of 182.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(3-nitrophenyl)ethanol is sourced from PubChem (CID 55264567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).