(2S)-2-anilinobutan-1-ol

C10H15NO — CID 51892277

IUPAC(2S)-2-anilinobutan-1-ol
SMILESCC[C@@H](CO)Nc1ccccc1
InChIInChI=1S/C10H15NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h3-7,9,11-12H,2,8H2,1H3/t9-/m0/s1
InChIKeyFGMZLSIURNPYDT-VIFPVBQESA-N
MW165.24 g/mol
LogP1.87
Rot. Bonds4

About (2S)-2-anilinobutan-1-ol

(2S)-2-anilinobutan-1-ol (PubChem CID 51892277) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2S)-2-anilinobutan-1-ol.

Molecular Properties

Compound Name(2S)-2-anilinobutan-1-ol
PubChem CID51892277
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2S)-2-anilinobutan-1-ol
SMILESCC[C@@H](CO)Nc1ccccc1
InChIInChI=1S/C10H15NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h3-7,9,11-12H,2,8H2,1H3/t9-/m0/s1
InChIKeyFGMZLSIURNPYDT-VIFPVBQESA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
N-Butylaniline
CID 14310
N-Phenyl diethanolamine
CID 8416
N-Phenylglycine
CID 66025
N-(2-Hydroxyethyl)aniline
CID 31235
2-(N-ethylanilino)ethanol
CID 62338
2-(N-Methylanilino)ethanol
CID 62340
Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-
CID 113349
2-(o-Toluidino)ethanol
CID 8703
3-(Phenylamino)propan-1-ol
CID 410467
2-Propanol, 1,1'-(phenylimino)bis-
CID 76498

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilinobutan-1-ol?
The IUPAC name of (2S)-2-anilinobutan-1-ol (CID 51892277) is (2S)-2-anilinobutan-1-ol.
What is the SMILES notation for (2S)-2-anilinobutan-1-ol?
The canonical SMILES for (2S)-2-anilinobutan-1-ol is CC[C@@H](CO)Nc1ccccc1.
What is the InChIKey of (2S)-2-anilinobutan-1-ol?
The InChIKey is FGMZLSIURNPYDT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO/c1-2-9(8-12)11-10-6-4-3-5-7-10/h3-7,9,11-12H,2,8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-anilinobutan-1-ol?
(2S)-2-anilinobutan-1-ol has a molecular weight of 165.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilinobutan-1-ol is sourced from PubChem (CID 51892277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).