[(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol

C11H15NO — CID 11805287

IUPAC[(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol
SMILESC[C@H]1[C@@H](CO)N1Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-9-11(8-13)12(9)7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+,12?/m0/s1
InChIKeyZPDDOPNYQBHHSB-WKAHHKJFSA-N
MW177.25 g/mol
LogP1.25
Rot. Bonds3

About [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol

[(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol (PubChem CID 11805287) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol
PubChem CID11805287
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name[(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol
SMILESC[C@H]1[C@@H](CO)N1Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-9-11(8-13)12(9)7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+,12?/m0/s1
InChIKeyZPDDOPNYQBHHSB-WKAHHKJFSA-N
XLogP1.25
TPSA23.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.25
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

Benzoxonium Chloride
CID 29563
2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
1-Benzylpiperidin-3-ol
CID 85773
N-Benzyl-N-methylethanolamine
CID 66876
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
2-(Benzylamino)propan-1-ol
CID 138873
(R)-(+)-1-Benzyl-3-pyrrolidinol
CID 643472
(R)-2-(benzylamino)butan-1-ol
CID 927306
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
2-Aziridinemethanol, 1-(phenylmethyl)-
CID 3047321
N-Benzyl-L-alaninol
CID 5356540

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol?
The IUPAC name of [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol (CID 11805287) is [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol?
The canonical SMILES for [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol is C[C@H]1[C@@H](CO)N1Cc1ccccc1.
What is the InChIKey of [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol?
The InChIKey is ZPDDOPNYQBHHSB-WKAHHKJFSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-11(8-13)12(9)7-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+,12?/m0/s1.
What are the key properties of [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol?
[(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol has a molecular weight of 177.25 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-benzyl-3-methylaziridin-2-yl]methanol is sourced from PubChem (CID 11805287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).