(1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol

C18H24N2O — CID 24897269

IUPAC(1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1C
InChIInChI=1S/C18H24N2O/c1-14-9-7-8-12-16(14)20(3)18(17(21)13-19-2)15-10-5-4-6-11-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyVIHUCKRDYCSWQL-MSOLQXFVSA-N
MW284.40 g/mol
LogP2.75
Rot. Bonds6

About (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol

(1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol (PubChem CID 24897269) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol
PubChem CID24897269
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol
SMILESCNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1C
InChIInChI=1S/C18H24N2O/c1-14-9-7-8-12-16(14)20(3)18(17(21)13-19-2)15-10-5-4-6-11-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
InChIKeyVIHUCKRDYCSWQL-MSOLQXFVSA-N
XLogP2.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-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

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The IUPAC name of (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol (CID 24897269) is (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol is CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1C.
What is the InChIKey of (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
The InChIKey is VIHUCKRDYCSWQL-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-9-7-8-12-16(14)20(3)18(17(21)13-19-2)15-10-5-4-6-11-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol?
(1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(N,2-dimethylanilino)-3-(methylamino)-1-phenylpropan-2-ol is sourced from PubChem (CID 24897269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).