(2S)-2-(3-methylbutylideneamino)-2-phenylethanol

C13H19NO — CID 11481144

IUPAC(2S)-2-(3-methylbutylideneamino)-2-phenylethanol
SMILESCC(C)C/C=N/[C@H](CO)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)8-9-14-13(10-15)12-6-4-3-5-7-12/h3-7,9,11,13,15H,8,10H2,1-2H3/b14-9+/t13-/m1/s1
InChIKeyIWMMFOLCIKUZRN-OZYJXZHSSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds5

About (2S)-2-(3-methylbutylideneamino)-2-phenylethanol

(2S)-2-(3-methylbutylideneamino)-2-phenylethanol (PubChem CID 11481144) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-(3-methylbutylideneamino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(3-methylbutylideneamino)-2-phenylethanol
PubChem CID11481144
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-(3-methylbutylideneamino)-2-phenylethanol
SMILESCC(C)C/C=N/[C@H](CO)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)8-9-14-13(10-15)12-6-4-3-5-7-12/h3-7,9,11,13,15H,8,10H2,1-2H3/b14-9+/t13-/m1/s1
InChIKeyIWMMFOLCIKUZRN-OZYJXZHSSA-N
XLogP2.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((p-Methylbenzylidene)amino)-3-phenyl-1-propanol
CID 208997
2-Hydroxy-1-phenylethyl azide
CID 522264
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
(3-Phenyl-2H-aziren-2-yl)methanol
CID 318519
(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
Oxazole, 2-(1,1-dimethylethyl)-4,5-dihydro-4-phenyl-, (R)-
CID 11041847
(2S)-2-azido-2-phenylethanol
CID 11686959
(2R)-2-azido-2-phenylethan-1-ol
CID 12111785
4-Phenyl-4,5-dihydro-1,3-oxazole
CID 12254975
(4R)-4-phenyl-2-oxazoline
CID 12254976

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbutylideneamino)-2-phenylethanol?
The IUPAC name of (2S)-2-(3-methylbutylideneamino)-2-phenylethanol (CID 11481144) is (2S)-2-(3-methylbutylideneamino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(3-methylbutylideneamino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(3-methylbutylideneamino)-2-phenylethanol is CC(C)C/C=N/[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-(3-methylbutylideneamino)-2-phenylethanol?
The InChIKey is IWMMFOLCIKUZRN-OZYJXZHSSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)8-9-14-13(10-15)12-6-4-3-5-7-12/h3-7,9,11,13,15H,8,10H2,1-2H3/b14-9+/t13-/m1/s1.
What are the key properties of (2S)-2-(3-methylbutylideneamino)-2-phenylethanol?
(2S)-2-(3-methylbutylideneamino)-2-phenylethanol has a molecular weight of 205.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbutylideneamino)-2-phenylethanol is sourced from PubChem (CID 11481144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).