(1S)-1-(2-aminophenyl)ethanol

C8H11NO — CID 12749796

IUPAC(1S)-1-(2-aminophenyl)ethanol
SMILESC[C@H](O)c1ccccc1N
InChIInChI=1S/C8H11NO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,9H2,1H3/t6-/m0/s1
InChIKeyWBIYLDMSLIXZJK-LURJTMIESA-N
MW137.18 g/mol
LogP1.32
Rot. Bonds1

About (1S)-1-(2-aminophenyl)ethanol

(1S)-1-(2-aminophenyl)ethanol (PubChem CID 12749796) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (1S)-1-(2-aminophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-aminophenyl)ethanol
PubChem CID12749796
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(1S)-1-(2-aminophenyl)ethanol
SMILESC[C@H](O)c1ccccc1N
InChIInChI=1S/C8H11NO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,9H2,1H3/t6-/m0/s1
InChIKeyWBIYLDMSLIXZJK-LURJTMIESA-N
XLogP1.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261
1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180
1-(2,3-diaminophenyl)ethanol
CID 18668016
(2S,3S)-3-(2-aminophenyl)butan-2-ol
CID 131028904
(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712
(1S,2R)-2-(2-aminophenyl)-1-phenylpropan-1-ol
CID 23726159
1-(2-aminophenyl)-1-iodo-3-methylbutan-2-ol
CID 129174808
2-(1-aminoethyl)aniline;sulfuric acid
CID 67830169
1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579
2-amino-3-(1-hydroxyethyl)phenol
CID 21298381
2-(1-trimethylsilylethyl)aniline
CID 11052509
(S)-(2-aminophenyl)-(4-methylphenyl)methanol
CID 40526253

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-aminophenyl)ethanol?
The IUPAC name of (1S)-1-(2-aminophenyl)ethanol (CID 12749796) is (1S)-1-(2-aminophenyl)ethanol.
What is the SMILES notation for (1S)-1-(2-aminophenyl)ethanol?
The canonical SMILES for (1S)-1-(2-aminophenyl)ethanol is C[C@H](O)c1ccccc1N.
What is the InChIKey of (1S)-1-(2-aminophenyl)ethanol?
The InChIKey is WBIYLDMSLIXZJK-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,9H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(2-aminophenyl)ethanol?
(1S)-1-(2-aminophenyl)ethanol has a molecular weight of 137.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-aminophenyl)ethanol is sourced from PubChem (CID 12749796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).