(1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol

C15H18N2O — CID 52937625

IUPAC(1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol
SMILESCN(N)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,16H2,1H3/t14-,15+/m0/s1
InChIKeyUZSBWSNIXUXPDF-LSDHHAIUSA-N
MW242.32 g/mol
LogP2.27
Rot. Bonds4

About (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol

(1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol (PubChem CID 52937625) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol.

Molecular Properties

Compound Name(1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol
PubChem CID52937625
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol
SMILESCN(N)[C@@H](c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,16H2,1H3/t14-,15+/m0/s1
InChIKeyUZSBWSNIXUXPDF-LSDHHAIUSA-N
XLogP2.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol?
The IUPAC name of (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol (CID 52937625) is (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol.
What is the SMILES notation for (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol?
The canonical SMILES for (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol is CN(N)[C@@H](c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol?
The InChIKey is UZSBWSNIXUXPDF-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(16)14(12-8-4-2-5-9-12)15(18)13-10-6-3-7-11-13/h2-11,14-15,18H,16H2,1H3/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol?
(1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol has a molecular weight of 242.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[amino(methyl)amino]-1,2-diphenylethanol is sourced from PubChem (CID 52937625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).