(2S,3S)-3-(2-aminophenyl)butan-2-ol

C10H15NO — CID 131028904

IUPAC(2S,3S)-3-(2-aminophenyl)butan-2-ol
SMILESC[C@H](O)[C@@H](C)c1ccccc1N
InChIInChI=1S/C10H15NO/c1-7(8(2)12)9-5-3-4-6-10(9)11/h3-8,12H,11H2,1-2H3/t7-,8+/m1/s1
InChIKeyMUDMBMNTJINKMI-SFYZADRCSA-N
MW165.24 g/mol
LogP1.75
Rot. Bonds2

About (2S,3S)-3-(2-aminophenyl)butan-2-ol

(2S,3S)-3-(2-aminophenyl)butan-2-ol (PubChem CID 131028904) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S,3S)-3-(2-aminophenyl)butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(2-aminophenyl)butan-2-ol
PubChem CID131028904
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S,3S)-3-(2-aminophenyl)butan-2-ol
SMILESC[C@H](O)[C@@H](C)c1ccccc1N
InChIInChI=1S/C10H15NO/c1-7(8(2)12)9-5-3-4-6-10(9)11/h3-8,12H,11H2,1-2H3/t7-,8+/m1/s1
InChIKeyMUDMBMNTJINKMI-SFYZADRCSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.75
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-aminophenyl)propane-1,2-diol
CID 54485712
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
(1S,2R)-2-(2-aminophenyl)-1-phenylpropan-1-ol
CID 23726159
(1S,2S)-1,2-bis(2-aminophenyl)ethane-1,2-diol
CID 166060261
1-(2-aminophenyl)-2-methylpropan-1-ol
CID 64834180
1-(2-aminophenyl)-1-iodo-3-methylbutan-2-ol
CID 129174808
2-(2-aminophenyl)-4,4-difluoro-5-methylhept-6-en-3-ol
CID 67918326
2-(1-aminoethyl)aniline;sulfuric acid
CID 67830169
1-(2-aminophenyl)-3-methylpentan-1-ol
CID 64832579
(1S,2S)-1-amino-1-(2,3-diaminophenyl)propan-2-ol
CID 55294728
1-(2,3-diaminophenyl)ethanol
CID 18668016
2-(1-trimethylsilylethyl)aniline
CID 11052509

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(2-aminophenyl)butan-2-ol?
The IUPAC name of (2S,3S)-3-(2-aminophenyl)butan-2-ol (CID 131028904) is (2S,3S)-3-(2-aminophenyl)butan-2-ol.
What is the SMILES notation for (2S,3S)-3-(2-aminophenyl)butan-2-ol?
The canonical SMILES for (2S,3S)-3-(2-aminophenyl)butan-2-ol is C[C@H](O)[C@@H](C)c1ccccc1N.
What is the InChIKey of (2S,3S)-3-(2-aminophenyl)butan-2-ol?
The InChIKey is MUDMBMNTJINKMI-SFYZADRCSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(8(2)12)9-5-3-4-6-10(9)11/h3-8,12H,11H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (2S,3S)-3-(2-aminophenyl)butan-2-ol?
(2S,3S)-3-(2-aminophenyl)butan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(2-aminophenyl)butan-2-ol is sourced from PubChem (CID 131028904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).