(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol

C10H15NO — CID 76973466

IUPAC(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol
SMILES[2H][13C]([2H])([2H])N[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1/i2+1D3
InChIKeyKWGRBVOPPLSCSI-QLBWOADNSA-N
MW169.25 g/mol
LogP1.33
Rot. Bonds4

About (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol

(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol (PubChem CID 76973466) has the molecular formula C10H15NO and a molecular weight of 169.25 g/mol. Its IUPAC name is (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol.

Molecular Properties

Compound Name(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol
PubChem CID76973466
Molecular FormulaC10H15NO
Molecular Weight169.25 g/mol
Exact Mass169.14
IUPAC Name(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol
SMILES[2H][13C]([2H])([2H])N[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1/i2+1D3
InChIKeyKWGRBVOPPLSCSI-QLBWOADNSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-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
4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride
CID 169441604
(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
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 174574615
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 53463041
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 13293571

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol?
The IUPAC name of (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol (CID 76973466) is (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol.
What is the SMILES notation for (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol?
The canonical SMILES for (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol is [2H][13C]([2H])([2H])N[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol?
The InChIKey is KWGRBVOPPLSCSI-QLBWOADNSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1/i2+1D3.
What are the key properties of (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol?
(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol has a molecular weight of 169.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol is sourced from PubChem (CID 76973466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).