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

C11H15NO — CID 131152404

IUPAC(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol
SMILESC=Cc1cccc([C@H](N)C(C)O)c1
InChIInChI=1S/C11H15NO/c1-3-9-5-4-6-10(7-9)11(12)8(2)13/h3-8,11,13H,1,12H2,2H3/t8?,11-/m1/s1
InChIKeyQFUOVKAIYILMGF-QHDYGNBISA-N
MW177.25 g/mol
LogP1.71
Rot. Bonds3

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

(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol (PubChem CID 131152404) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol
PubChem CID131152404
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol
SMILESC=Cc1cccc([C@H](N)C(C)O)c1
InChIInChI=1S/C11H15NO/c1-3-9-5-4-6-10(7-9)11(12)8(2)13/h3-8,11,13H,1,12H2,2H3/t8?,11-/m1/s1
InChIKeyQFUOVKAIYILMGF-QHDYGNBISA-N
XLogP1.71
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 ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(3-ethenylphenyl)propan-2-one
CID 55291831
1-ethenyl-3-(1-phenylethyl)benzene
CID 14750258
1-(3-ethenylphenyl)-N-fluoroethanamine
CID 174901284
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzoic acid
CID 130673379
3-[(1S)-1-amino-2-hydroxypropyl]benzonitrile
CID 131098129
3-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
CID 171267137
(1S,2R)-1-amino-1-(3-phenoxyphenyl)propan-2-ol
CID 171266953
acetyloxymethyl 2-(3-ethenylphenyl)propanoate
CID 58973618
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
(1S,2R)-1-amino-1-(3-nitrophenyl)propan-2-ol
CID 130639568
1-[bis(4-methylphenyl)methyl]-3-ethenylbenzene
CID 58982919

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol (CID 131152404) is (1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol is C=Cc1cccc([C@H](N)C(C)O)c1.
What is the InChIKey of (1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol?
The InChIKey is QFUOVKAIYILMGF-QHDYGNBISA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9-5-4-6-10(7-9)11(12)8(2)13/h3-8,11,13H,1,12H2,2H3/t8?,11-/m1/s1.
What are the key properties of (1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol?
(1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol has a molecular weight of 177.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(3-ethenylphenyl)propan-2-ol is sourced from PubChem (CID 131152404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).