2-[(2R)-2-benzyloxiran-2-yl]ethanamine

C11H15NO — CID 151856778

IUPAC2-[(2R)-2-benzyloxiran-2-yl]ethanamine
SMILESNCC[C@]1(Cc2ccccc2)CO1
InChIInChI=1S/C11H15NO/c12-7-6-11(9-13-11)8-10-4-2-1-3-5-10/h1-5H,6-9,12H2/t11-/m0/s1
InChIKeySJVUVMRUFAJTLA-NSHDSACASA-N
MW177.25 g/mol
LogP1.35
Rot. Bonds4

About 2-[(2R)-2-benzyloxiran-2-yl]ethanamine

2-[(2R)-2-benzyloxiran-2-yl]ethanamine (PubChem CID 151856778) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(2R)-2-benzyloxiran-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-2-benzyloxiran-2-yl]ethanamine
PubChem CID151856778
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-[(2R)-2-benzyloxiran-2-yl]ethanamine
SMILESNCC[C@]1(Cc2ccccc2)CO1
InChIInChI=1S/C11H15NO/c12-7-6-11(9-13-11)8-10-4-2-1-3-5-10/h1-5H,6-9,12H2/t11-/m0/s1
InChIKeySJVUVMRUFAJTLA-NSHDSACASA-N
XLogP1.35
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.35
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

[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
(2-benzyloxolan-2-yl)methanamine
CID 84772073
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791
(2-benzyloxolan-2-yl)methanol
CID 126987678
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
6,6-dibenzyl-2,2,3,3-tetramethyloxadisilinane
CID 70347580
3-benzyloxolan-3-ol
CID 63332039
3-benzyl-3-methyloxiran-2-amine
CID 130712281
2-(2-benzyl-1,3-dioxolan-2-yl)ethyl-triphenylphosphanium
CID 86746663
2-(3-phenyloxan-3-yl)ethanamine
CID 83819944
2-benzyl-N-methyl-1,4-dioxan-2-amine
CID 57226129
9-benzyl-3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-ol
CID 118113177

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-benzyloxiran-2-yl]ethanamine?
The IUPAC name of 2-[(2R)-2-benzyloxiran-2-yl]ethanamine (CID 151856778) is 2-[(2R)-2-benzyloxiran-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-2-benzyloxiran-2-yl]ethanamine?
The canonical SMILES for 2-[(2R)-2-benzyloxiran-2-yl]ethanamine is NCC[C@]1(Cc2ccccc2)CO1.
What is the InChIKey of 2-[(2R)-2-benzyloxiran-2-yl]ethanamine?
The InChIKey is SJVUVMRUFAJTLA-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO/c12-7-6-11(9-13-11)8-10-4-2-1-3-5-10/h1-5H,6-9,12H2/t11-/m0/s1.
What are the key properties of 2-[(2R)-2-benzyloxiran-2-yl]ethanamine?
2-[(2R)-2-benzyloxiran-2-yl]ethanamine has a molecular weight of 177.25 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-benzyloxiran-2-yl]ethanamine is sourced from PubChem (CID 151856778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).