(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol

C11H15NO — CID 55276189

IUPAC(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol
SMILESC=Cc1cccc([C@](C)(N)CO)c1
InChIInChI=1S/C11H15NO/c1-3-9-5-4-6-10(7-9)11(2,12)8-13/h3-7,13H,1,8,12H2,2H3/t11-/m1/s1
InChIKeyNKTSKRCIHUALBW-LLVKDONJSA-N
MW177.25 g/mol
LogP1.50
Rot. Bonds3

About (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol

(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol (PubChem CID 55276189) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol
PubChem CID55276189
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol
SMILESC=Cc1cccc([C@](C)(N)CO)c1
InChIInChI=1S/C11H15NO/c1-3-9-5-4-6-10(7-9)11(2,12)8-13/h3-7,13H,1,8,12H2,2H3/t11-/m1/s1
InChIKeyNKTSKRCIHUALBW-LLVKDONJSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol (CID 55276189) is (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol is C=Cc1cccc([C@](C)(N)CO)c1.
What is the InChIKey of (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol?
The InChIKey is NKTSKRCIHUALBW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9-5-4-6-10(7-9)11(2,12)8-13/h3-7,13H,1,8,12H2,2H3/t11-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol?
(2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-ethenylphenyl)propan-1-ol is sourced from PubChem (CID 55276189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).