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

C11H15NO — CID 130989539

IUPAC(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
SMILESC=Cc1ccccc1[C@H](N)C(C)O
InChIInChI=1S/C11H15NO/c1-3-9-6-4-5-7-10(9)11(12)8(2)13/h3-8,11,13H,1,12H2,2H3/t8?,11-/m1/s1
InChIKeyFTYJNULGKZXDNB-QHDYGNBISA-N
MW177.25 g/mol
LogP1.71
Rot. Bonds3

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

(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol (PubChem CID 130989539) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
PubChem CID130989539
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
SMILESC=Cc1ccccc1[C@H](N)C(C)O
InChIInChI=1S/C11H15NO/c1-3-9-6-4-5-7-10(9)11(12)8(2)13/h3-8,11,13H,1,12H2,2H3/t8?,11-/m1/s1
InChIKeyFTYJNULGKZXDNB-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

2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
1-(2-ethenylphenyl)ethanethiol
CID 22186241
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
1-(2-ethenylphenyl)propan-1-amine
CID 55283392
2-amino-2-(2-ethenylphenyl)ethanol
CID 55283581
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
2-amino-2-(2-ethenylphenyl)acetic acid
CID 55283582
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol (CID 130989539) is (1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol is C=Cc1ccccc1[C@H](N)C(C)O.
What is the InChIKey of (1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol?
The InChIKey is FTYJNULGKZXDNB-QHDYGNBISA-N. The full InChI is InChI=1S/C11H15NO/c1-3-9-6-4-5-7-10(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-(2-ethenylphenyl)propan-2-ol?
(1S)-1-amino-1-(2-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-(2-ethenylphenyl)propan-2-ol is sourced from PubChem (CID 130989539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).