3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride

C9H13ClN2O3 — CID 170874460

IUPAC3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2O3.ClH/c10-8(5-6-12)7-3-1-2-4-9(7)11(13)14;/h1-4,8,12H,5-6,10H2;1H
InChIKeyRUXUODLDASMXOR-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.40
Rot. Bonds4

About 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride

3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride (PubChem CID 170874460) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride
PubChem CID170874460
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H12N2O3.ClH/c10-8(5-6-12)7-3-1-2-4-9(7)11(13)14;/h1-4,8,12H,5-6,10H2;1H
InChIKeyRUXUODLDASMXOR-UHFFFAOYSA-N
XLogP1.40
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.40
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

(1S)-1-(2-nitrophenyl)propane-1,3-diamine;hydrochloride
CID 171217794
(1R)-1-(2-nitrophenyl)butane-1,4-diamine
CID 171198283
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
ethyl (3S)-3-amino-3-(2-nitrophenyl)propanoate
CID 171217838
(3S)-3-amino-2,2-dimethyl-3-(2-nitrophenyl)propan-1-ol
CID 171245634
(1R,2S)-1-amino-5-methyl-1-(2-nitrophenyl)hexan-2-ol;hydrochloride
CID 171260885
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
(3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride
CID 171198277
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
methyl (2S)-2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 171198321
methyl 2-amino-2-(2-nitrophenyl)acetate;hydrochloride
CID 86767617

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride (CID 170874460) is 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride is Cl.NC(CCO)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride?
The InChIKey is RUXUODLDASMXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3.ClH/c10-8(5-6-12)7-3-1-2-4-9(7)11(13)14;/h1-4,8,12H,5-6,10H2;1H.
What are the key properties of 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride?
3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride has a molecular weight of 232.67 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170874460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).