[(2S)-1-methylaziridin-2-yl]-diphenylmethanol

C16H17NO — CID 101268186

IUPAC[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
SMILESCN1C[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-17-12-15(17)16(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,18H,12H2,1H3/t15-,17?/m0/s1
InChIKeyAJOMLSCKRPIGFH-MYJWUSKBSA-N
MW239.32 g/mol
LogP2.24
Rot. Bonds3

About [(2S)-1-methylaziridin-2-yl]-diphenylmethanol

[(2S)-1-methylaziridin-2-yl]-diphenylmethanol (PubChem CID 101268186) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is [(2S)-1-methylaziridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
PubChem CID101268186
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
SMILESCN1C[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-17-12-15(17)16(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,18H,12H2,1H3/t15-,17?/m0/s1
InChIKeyAJOMLSCKRPIGFH-MYJWUSKBSA-N
XLogP2.24
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylaziridin-2-yl]-diphenylmethanol?
The IUPAC name of [(2S)-1-methylaziridin-2-yl]-diphenylmethanol (CID 101268186) is [(2S)-1-methylaziridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S)-1-methylaziridin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S)-1-methylaziridin-2-yl]-diphenylmethanol is CN1C[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-methylaziridin-2-yl]-diphenylmethanol?
The InChIKey is AJOMLSCKRPIGFH-MYJWUSKBSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-12-15(17)16(18,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,18H,12H2,1H3/t15-,17?/m0/s1.
What are the key properties of [(2S)-1-methylaziridin-2-yl]-diphenylmethanol?
[(2S)-1-methylaziridin-2-yl]-diphenylmethanol has a molecular weight of 239.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylaziridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 101268186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).