(3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride

C9H13ClN2O3 — CID 171198277

IUPAC(3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O3.ClH/c10-9(5-6-12)7-1-3-8(4-2-7)11(13)14;/h1-4,9,12H,5-6,10H2;1H/t9-;/m1./s1
InChIKeyDRRXPUJOEXPUAK-SBSPUUFOSA-N
MW232.67 g/mol
LogP1.40
Rot. Bonds4

About (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride

(3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride (PubChem CID 171198277) has the molecular formula C9H13ClN2O3 and a molecular weight of 232.67 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride
PubChem CID171198277
Molecular FormulaC9H13ClN2O3
Molecular Weight232.67 g/mol
Exact Mass232.06
IUPAC Name(3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H12N2O3.ClH/c10-9(5-6-12)7-1-3-8(4-2-7)11(13)14;/h1-4,9,12H,5-6,10H2;1H/t9-;/m1./s1
InChIKeyDRRXPUJOEXPUAK-SBSPUUFOSA-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

(1R)-4,4,4-trifluoro-1-(4-nitrophenyl)butan-1-amine;hydrochloride
CID 171198257
(1S)-1-(4-nitrophenyl)pentane-1,5-diamine
CID 171217751
1-(4-nitrophenyl)hexan-1-amine
CID 139623106
3-amino-3-[5-(4-nitrophenyl)furan-2-yl]propan-1-ol;hydrochloride
CID 170874778
3-amino-3-(2-fluoro-5-nitrophenyl)propan-1-ol;hydrochloride
CID 170874535
(2R)-2-amino-3-hydroxy-1-(4-nitrophenyl)propan-1-one;hydrochloride
CID 141020867
methyl (3S)-3-amino-3-(4-nitrophenyl)propanoate;hydrochloride
CID 170900233
2,2-dimethyl-1-(4-nitrophenyl)pentane-1,3,5-triol
CID 91158268
2-[2-hydroxy-1-(4-nitrophenyl)ethyl]sulfanyl-2-(4-nitrophenyl)ethanol
CID 54510850
1-(4-nitrophenyl)but-3-en-1-amine
CID 10821570
4-[(1S)-1-amino-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171217673
4-[(1S)-1-amino-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171217708

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride (CID 171198277) is (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride is Cl.N[C@H](CCO)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride?
The InChIKey is DRRXPUJOEXPUAK-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H12N2O3.ClH/c10-9(5-6-12)7-1-3-8(4-2-7)11(13)14;/h1-4,9,12H,5-6,10H2;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(4-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 (3R)-3-amino-3-(4-nitrophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171198277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).