(2S,3S)-3-anilinobutan-2-ol

C10H15NO — CID 13494332

IUPAC(2S,3S)-3-anilinobutan-2-ol
SMILESC[C@H](O)[C@H](C)Nc1ccccc1
InChIInChI=1S/C10H15NO/c1-8(9(2)12)11-10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t8-,9-/m0/s1
InChIKeyXTYMSXNQWSWSOU-IUCAKERBSA-N
MW165.24 g/mol
LogP1.87
Rot. Bonds3

About (2S,3S)-3-anilinobutan-2-ol

(2S,3S)-3-anilinobutan-2-ol (PubChem CID 13494332) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S,3S)-3-anilinobutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-anilinobutan-2-ol
PubChem CID13494332
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S,3S)-3-anilinobutan-2-ol
SMILESC[C@H](O)[C@H](C)Nc1ccccc1
InChIInChI=1S/C10H15NO/c1-8(9(2)12)11-10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t8-,9-/m0/s1
InChIKeyXTYMSXNQWSWSOU-IUCAKERBSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-anilinobutan-2-ol?
The IUPAC name of (2S,3S)-3-anilinobutan-2-ol (CID 13494332) is (2S,3S)-3-anilinobutan-2-ol.
What is the SMILES notation for (2S,3S)-3-anilinobutan-2-ol?
The canonical SMILES for (2S,3S)-3-anilinobutan-2-ol is C[C@H](O)[C@H](C)Nc1ccccc1.
What is the InChIKey of (2S,3S)-3-anilinobutan-2-ol?
The InChIKey is XTYMSXNQWSWSOU-IUCAKERBSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(9(2)12)11-10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-anilinobutan-2-ol?
(2S,3S)-3-anilinobutan-2-ol has a molecular weight of 165.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-anilinobutan-2-ol is sourced from PubChem (CID 13494332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).