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

C9H13NO — CID 10297

IUPAC(1R,2S)-2-amino-1-phenylpropan-1-ol
SMILESC[C@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1
InChIKeyDLNKOYKMWOXYQA-CBAPKCEASA-N
MW151.21 g/mol
LogP1.07
Rot. Bonds2

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

(1R,2S)-2-amino-1-phenylpropan-1-ol (PubChem CID 10297) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-phenylpropan-1-ol
PubChem CID10297
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(1R,2S)-2-amino-1-phenylpropan-1-ol
SMILESC[C@H](N)[C@H](O)c1ccccc1
InChIInChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1
InChIKeyDLNKOYKMWOXYQA-CBAPKCEASA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-amino-1-phenylpropan-1-ol (CID 10297) is (1R,2S)-2-amino-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-1-phenylpropan-1-ol is C[C@H](N)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-amino-1-phenylpropan-1-ol?
The InChIKey is DLNKOYKMWOXYQA-CBAPKCEASA-N. The full InChI is InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2,1H3/t7-,9-/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-phenylpropan-1-ol?
(1R,2S)-2-amino-1-phenylpropan-1-ol has a molecular weight of 151.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-phenylpropan-1-ol is sourced from PubChem (CID 10297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).