(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol

C10H14N2O3 — CID 93033289

IUPAC(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-8(13)6-11-7-9-4-2-3-5-10(9)12(14)15/h2-5,8,11,13H,6-7H2,1H3/t8-/m1/s1
InChIKeyXJYJOXIBDHCEMH-MRVPVSSYSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds5

About (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol

(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol (PubChem CID 93033289) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
PubChem CID93033289
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N2O3/c1-8(13)6-11-7-9-4-2-3-5-10(9)12(14)15/h2-5,8,11,13H,6-7H2,1H3/t8-/m1/s1
InChIKeyXJYJOXIBDHCEMH-MRVPVSSYSA-N
XLogP1.07
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
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'}

Analyze (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[(2-nitrophenyl)methylamino]pentan-2-ol
CID 103637396
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865
1-ethoxy-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 63934487
N-[(2-nitrophenyl)methyl]-2-prop-2-enoxypropan-1-amine
CID 114264047
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
(2R)-2-amino-N-[(2-nitrophenyl)methyl]propanamide
CID 78979257
2-[(2-methyl-3-nitrophenyl)methylamino]-1-phenylethanol
CID 43509086
1-(bromomethyl)-2-nitrobenzene;2-[(2-nitrophenyl)methylamino]ethanol
CID 158478139
2-methylidene-N-[(2-nitrophenyl)methyl]butan-1-amine
CID 66043777
3-[(2-nitrophenyl)methylamino]-2-phenylpropanenitrile
CID 64536630
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
2-[[(2-nitrophenyl)methylamino]methyl]benzoic acid
CID 103245839

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol (CID 93033289) is (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol is C[C@@H](O)CNCc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol?
The InChIKey is XJYJOXIBDHCEMH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-8(13)6-11-7-9-4-2-3-5-10(9)12(14)15/h2-5,8,11,13H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol?
(2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol has a molecular weight of 210.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-nitrophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 93033289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).