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

C10H15NO — CID 7028

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IUPAC(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
SMILESCN[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
InChIKeyKWGRBVOPPLSCSI-WCBMZHEXSA-N
MW165.24 g/mol
LogP1.33
Rot. Bonds3

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

(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol (PubChem CID 7028) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
PubChem CID7028
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
SMILESCN[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
InChIKeyKWGRBVOPPLSCSI-WCBMZHEXSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Synephrine
CID 7172
Ephedrine
CID 9294
Phenylpropanolamine
CID 10297
Phenmetrazine
CID 4762
Ephedrine Hydrochloride
CID 65326
Cathine
CID 441457
Phenylethanolamine
CID 1000
Pseudoephedrine Hydrochloride
CID 9581
Ephedrine Sulfate
CID 5359318
(-)-Synephrine
CID 854067
Tulobuterol
CID 5606
Oxilofrine
CID 688009

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol (CID 7028) is (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol is CN[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol?
The InChIKey is KWGRBVOPPLSCSI-WCBMZHEXSA-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.
What are the key properties of (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol?
(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 7028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).