(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol

C29H43N3O3 — CID 69186898

IUPAC(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
SMILESCN[C@@H](C)[C@@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.C[C@@H](N)[C@@H](O)c1ccccc1
InChIInChI=1S/2C10H15NO.C9H13NO/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-7(10)9(11)8-5-3-2-4-6-8/h2*3-8,10-12H,1-2H3;2-7,9,11H,10H2,1H3/t8-,10+;8-,10-;7-,9-/m001/s1
InChIKeyZTEPODUYGYWDGM-NNOYFQEVSA-N
MW481.68 g/mol
LogP3.72
Rot. Bonds8

About (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol

(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol (PubChem CID 69186898) has the molecular formula C29H43N3O3 and a molecular weight of 481.68 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
PubChem CID69186898
Molecular FormulaC29H43N3O3
Molecular Weight481.68 g/mol
Exact Mass481.33
IUPAC Name(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
SMILESCN[C@@H](C)[C@@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.C[C@@H](N)[C@@H](O)c1ccccc1
InChIInChI=1S/2C10H15NO.C9H13NO/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-7(10)9(11)8-5-3-2-4-6-8/h2*3-8,10-12H,1-2H3;2-7,9,11H,10H2,1H3/t8-,10+;8-,10-;7-,9-/m001/s1
InChIKeyZTEPODUYGYWDGM-NNOYFQEVSA-N
XLogP3.72
TPSA110.77 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 53.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-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

(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 174574615
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
CID 118541105
(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol
CID 76973466
acetyl chloride;(1R,2S)-2-amino-1-phenylpropan-1-ol;N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide
CID 165079516
2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 53463041
(1R,2S)-2-amino-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid
CID 76960503
(1R,2R)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 59302389

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol (CID 69186898) is (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol is CN[C@@H](C)[C@@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.C[C@@H](N)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is ZTEPODUYGYWDGM-NNOYFQEVSA-N. The full InChI is InChI=1S/2C10H15NO.C9H13NO/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-7(10)9(11)8-5-3-2-4-6-8/h2*3-8,10-12H,1-2H3;2-7,9,11H,10H2,1H3/t8-,10+;8-,10-;7-,9-/m001/s1.
What are the key properties of (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol?
(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 481.68 g/mol, XLogP of 3.72, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 69186898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).