(2R)-1-(benzylideneamino)butan-2-ol

C11H15NO — CID 99912472

IUPAC(2R)-1-(benzylideneamino)butan-2-ol
SMILESCC[C@@H](O)C/N=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-11(13)9-12-8-10-6-4-3-5-7-10/h3-8,11,13H,2,9H2,1H3/b12-8+/t11-/m1/s1
InChIKeyGPRHCHKXFULBHF-OYGDSYQHSA-N
MW177.25 g/mol
LogP1.88
Rot. Bonds4

About (2R)-1-(benzylideneamino)butan-2-ol

(2R)-1-(benzylideneamino)butan-2-ol (PubChem CID 99912472) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2R)-1-(benzylideneamino)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzylideneamino)butan-2-ol
PubChem CID99912472
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2R)-1-(benzylideneamino)butan-2-ol
SMILESCC[C@@H](O)C/N=C/c1ccccc1
InChIInChI=1S/C11H15NO/c1-2-11(13)9-12-8-10-6-4-3-5-7-10/h3-8,11,13H,2,9H2,1H3/b12-8+/t11-/m1/s1
InChIKeyGPRHCHKXFULBHF-OYGDSYQHSA-N
XLogP1.88
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R)-1-(benzylideneamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzylideneamino)ethanol
CID 66697160
(E,5R)-2-chloro-5-hydroxy-1-phenylhept-1-en-3-one
CID 177395077
1-[2-(benzylideneamino)ethylsulfonyl]ethanol
CID 139898780
1-(benzylideneamino)-N,N-dimethylmethanamine
CID 70014229
1-[(4-nitrophenyl)methylideneamino]-3-phenoxypropan-2-ol
CID 86184636
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1-[4-(2-phenylethenyl)anilino]butan-2-ol
CID 54437756
phosphanyl 2-(benzylideneamino)acetate
CID 88978605
1-phenyl-N-(2-propan-2-yloxyethyl)methanimine
CID 145468461
methyl 2-(benzylideneamino)acetate
CID 132550307
1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine
CID 101228491
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzylideneamino)butan-2-ol?
The IUPAC name of (2R)-1-(benzylideneamino)butan-2-ol (CID 99912472) is (2R)-1-(benzylideneamino)butan-2-ol.
What is the SMILES notation for (2R)-1-(benzylideneamino)butan-2-ol?
The canonical SMILES for (2R)-1-(benzylideneamino)butan-2-ol is CC[C@@H](O)C/N=C/c1ccccc1.
What is the InChIKey of (2R)-1-(benzylideneamino)butan-2-ol?
The InChIKey is GPRHCHKXFULBHF-OYGDSYQHSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-11(13)9-12-8-10-6-4-3-5-7-10/h3-8,11,13H,2,9H2,1H3/b12-8+/t11-/m1/s1.
What are the key properties of (2R)-1-(benzylideneamino)butan-2-ol?
(2R)-1-(benzylideneamino)butan-2-ol has a molecular weight of 177.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzylideneamino)butan-2-ol is sourced from PubChem (CID 99912472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).