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

C20H32N2O3 — CID 67711321

IUPAC(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
SMILESCNC(C)C(O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.O
InChIInChI=1S/2C10H15NO.H2O/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;/h2*3-8,10-12H,1-2H3;1H2/t8-,10-;;/m0../s1
InChIKeyZNGSVRYVWHOWLX-NKPZAKOOSA-N
MW348.49 g/mol
LogP1.83
Rot. Bonds6

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

(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate (PubChem CID 67711321) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate.

Molecular Properties

Compound Name(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
PubChem CID67711321
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
SMILESCNC(C)C(O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.O
InChIInChI=1S/2C10H15NO.H2O/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;/h2*3-8,10-12H,1-2H3;1H2/t8-,10-;;/m0../s1
InChIKeyZNGSVRYVWHOWLX-NKPZAKOOSA-N
XLogP1.83
TPSA96.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
(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
2,2-dimethylpropanoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 174574615
(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol
CID 76973466
2-hydroxybenzoic acid;2-(methylamino)-1-phenylpropan-1-ol
CID 53463041
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
(1S,2S)-1-(3-chlorophenyl)-2-(methylamino)propan-1-ol;hydrochloride
CID 175665348

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate?
The IUPAC name of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate (CID 67711321) is (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate.
What is the SMILES notation for (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate?
The canonical SMILES for (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate is CNC(C)C(O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.O.
What is the InChIKey of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate?
The InChIKey is ZNGSVRYVWHOWLX-NKPZAKOOSA-N. The full InChI is InChI=1S/2C10H15NO.H2O/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;/h2*3-8,10-12H,1-2H3;1H2/t8-,10-;;/m0../s1.
What are the key properties of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate?
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate has a molecular weight of 348.49 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate is sourced from PubChem (CID 67711321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).