(2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol

C13H19NO — CID 11310255

IUPAC(2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol
SMILESCC(C)(C)/C=N/[C@H](CO)c1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,3)10-14-12(9-15)11-7-5-4-6-8-11/h4-8,10,12,15H,9H2,1-3H3/b14-10+/t12-/m1/s1
InChIKeyOAHAMRLWBRCDNJ-HLVNSREUSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds3

About (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol

(2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol (PubChem CID 11310255) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol
PubChem CID11310255
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol
SMILESCC(C)(C)/C=N/[C@H](CO)c1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,3)10-14-12(9-15)11-7-5-4-6-8-11/h4-8,10,12,15H,9H2,1-3H3/b14-10+/t12-/m1/s1
InChIKeyOAHAMRLWBRCDNJ-HLVNSREUSA-N
XLogP2.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
2-Amino-2-phenylethan-1-ol
CID 134797
2-((p-Methylbenzylidene)amino)-3-phenyl-1-propanol
CID 208997
Benzenemethanol, alpha-(1-(dimethylamino)ethyl)-, hydrochloride, (S-(R*,R*))-
CID 3049917
2-Hydroxy-1-phenylethan-1-amine
CID 4128378
2-Hydroxy-1-phenylethyl azide
CID 522264
1-Azido-1-phenylpropan-2-ol
CID 72960759
2,2,2-trifluoro-N-[(1R)-2-methoxy-1-phenylethyl]ethanimine
CID 11229989
(1R,2S)-1-azido-1-phenylpropan-2-ol
CID 11435262
[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536
(betaR)-beta-[(Phenylmethylene)amino]benzeneethanol
CID 10911227

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol?
The IUPAC name of (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol (CID 11310255) is (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol is CC(C)(C)/C=N/[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol?
The InChIKey is OAHAMRLWBRCDNJ-HLVNSREUSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)10-14-12(9-15)11-7-5-4-6-8-11/h4-8,10,12,15H,9H2,1-3H3/b14-10+/t12-/m1/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol?
(2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol has a molecular weight of 205.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropylideneamino)-2-phenylethanol is sourced from PubChem (CID 11310255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).