2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol

C13H19NO — CID 12025791

IUPAC2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol
SMILESC[C@H](c1ccccc1)N1C[C@H]1C(C)(C)O
InChIInChI=1S/C13H19NO/c1-10(11-7-5-4-6-8-11)14-9-12(14)13(2,3)15/h4-8,10,12,15H,9H2,1-3H3/t10-,12+,14?/m1/s1
InChIKeyVARIGFLUBXHTRE-RBOJZIDYSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds3

About 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol

2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol (PubChem CID 12025791) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol
PubChem CID12025791
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol
SMILESC[C@H](c1ccccc1)N1C[C@H]1C(C)(C)O
InChIInChI=1S/C13H19NO/c1-10(11-7-5-4-6-8-11)14-9-12(14)13(2,3)15/h4-8,10,12,15H,9H2,1-3H3/t10-,12+,14?/m1/s1
InChIKeyVARIGFLUBXHTRE-RBOJZIDYSA-N
XLogP2.20
TPSA23.24 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

diphenyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol
CID 124604999
(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 134930781
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
dicyclohexyl-[(2S)-1-[(1R)-1-phenylethyl]azetidin-2-yl]methanol
CID 124865263
tert-butyl 1-[(1S)-1-phenylethyl]aziridine-2-carboxylate
CID 101000098
2-methyl-1-[(2S)-1-[(1S)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 131856193
1-(1-phenylethyl)aziridine-2-carboxamide
CID 3891776
(1S,4S)-2-methyl-5-[(1R)-1-phenylethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 24787409
2-methyl-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-one
CID 10965971
(2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine
CID 101221832
3-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-ol
CID 102227670
(1R)-1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]prop-2-en-1-ol
CID 12027951

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol (CID 12025791) is 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol is C[C@H](c1ccccc1)N1C[C@H]1C(C)(C)O.
What is the InChIKey of 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol?
The InChIKey is VARIGFLUBXHTRE-RBOJZIDYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(11-7-5-4-6-8-11)14-9-12(14)13(2,3)15/h4-8,10,12,15H,9H2,1-3H3/t10-,12+,14?/m1/s1.
What are the key properties of 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol?
2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-2-ol is sourced from PubChem (CID 12025791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).