2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol

C18H27NO2 — CID 135024766

IUPAC2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol
SMILESCC1/C(=N/C(C)(C)CO)OC(C)(C)C1(C)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-13-15(19-16(2,3)12-20)21-17(4,5)18(13,6)14-10-8-7-9-11-14/h7-11,13,20H,12H2,1-6H3/b19-15-
InChIKeyBETPPCOEMJGYJM-CYVLTUHYSA-N
MW289.42 g/mol
LogP3.56
Rot. Bonds3

About 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol

2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol (PubChem CID 135024766) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol
PubChem CID135024766
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol
SMILESCC1/C(=N/C(C)(C)CO)OC(C)(C)C1(C)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-13-15(19-16(2,3)12-20)21-17(4,5)18(13,6)14-10-8-7-9-11-14/h7-11,13,20H,12H2,1-6H3/b19-15-
InChIKeyBETPPCOEMJGYJM-CYVLTUHYSA-N
XLogP3.56
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol
CID 1511173
4,4-dimethyl-2-(1-methyl-4H-naphthalen-1-yl)-5H-oxazole
CID 455267
4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
CID 86092669
4-Methyl-2-(4-phenylbenzyl)-2-oxazoline-4-methanol
CID 193256
4,4-dimethyl-2-(1-phenylcyclopentyl)-5H-1,3-oxazole
CID 11543264
4,4-dimethyl-2-[1-(2-methylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 11586942
(1S,2S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-phenylbut-3-en-1-ol
CID 11770706
4,4-Dimethyl-2-(1-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 71405550
4,4-dimethyl-2-(1-phenylcyclopropyl)-5H-1,3-oxazole
CID 86092664
4,4-dimethyl-2-[1-(4-methylphenyl)cyclopentyl]-5H-1,3-oxazole
CID 86092666
4,4-dimethyl-2-(1-phenylcyclohexyl)-5H-1,3-oxazole
CID 86092668
2-[1-(2-ethylphenyl)cyclopropyl]-4,4-dimethyl-5H-1,3-oxazole
CID 86092678

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol (CID 135024766) is 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol is CC1/C(=N/C(C)(C)CO)OC(C)(C)C1(C)c1ccccc1.
What is the InChIKey of 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol?
The InChIKey is BETPPCOEMJGYJM-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13-15(19-16(2,3)12-20)21-17(4,5)18(13,6)14-10-8-7-9-11-14/h7-11,13,20H,12H2,1-6H3/b19-15-.
What are the key properties of 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol?
2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3,4,5,5-tetramethyl-4-phenyloxolan-2-ylidene)amino]propan-1-ol is sourced from PubChem (CID 135024766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).