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

C20H30N2O2 — CID 68629848

IUPAC(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
SMILESCN[C@@H](C)[C@H](O)c1ccccc1.CN[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/2C10H15NO/c2*1-8(11-2)10(12)9-6-4-3-5-7-9/h2*3-8,10-12H,1-2H3/t2*8-,10-/m10/s1
InChIKeyUOPJHRNXAXCGHH-JWGPUQBJSA-N
MW330.47 g/mol
LogP2.66
Rot. Bonds6

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

(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol (PubChem CID 68629848) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
PubChem CID68629848
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
SMILESCN[C@@H](C)[C@H](O)c1ccccc1.CN[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/2C10H15NO/c2*1-8(11-2)10(12)9-6-4-3-5-7-9/h2*3-8,10-12H,1-2H3/t2*8-,10-/m10/s1
InChIKeyUOPJHRNXAXCGHH-JWGPUQBJSA-N
XLogP2.66
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(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;(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;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol (CID 68629848) is (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol is CN[C@@H](C)[C@H](O)c1ccccc1.CN[C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is UOPJHRNXAXCGHH-JWGPUQBJSA-N. The full InChI is InChI=1S/2C10H15NO/c2*1-8(11-2)10(12)9-6-4-3-5-7-9/h2*3-8,10-12H,1-2H3/t2*8-,10-/m10/s1.
What are the key properties of (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol?
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 330.47 g/mol, XLogP of 2.66, 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;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 68629848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).