(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine

C18H21NO — CID 10869250

IUPAC(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
SMILESC[C@@H](c1ccccc1)N1C[C@H]1COCc1ccccc1
InChIInChI=1S/C18H21NO/c1-15(17-10-6-3-7-11-17)19-12-18(19)14-20-13-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-,18-,19?/m0/s1
InChIKeyGSSBCOPWVHCCJL-SIYBWXAISA-N
MW267.37 g/mol
LogP3.65
Rot. Bonds6

About (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine

(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine (PubChem CID 10869250) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine.

Molecular Properties

Compound Name(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
PubChem CID10869250
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
SMILESC[C@@H](c1ccccc1)N1C[C@H]1COCc1ccccc1
InChIInChI=1S/C18H21NO/c1-15(17-10-6-3-7-11-17)19-12-18(19)14-20-13-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-,18-,19?/m0/s1
InChIKeyGSSBCOPWVHCCJL-SIYBWXAISA-N
XLogP3.65
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-phenylethyl]-2-(2-phenylethyl)aziridine
CID 142660934
(1R)-1-[(2S)-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-phenylmethoxybutan-1-amine
CID 11667246
[1-(1-phenylethyl)aziridin-2-yl]methyl 2-methylprop-2-enoate
CID 59256266
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
2-[(3R,4R)-2-oxo-1-[(1R)-1-phenylethyl]-4-(phenylmethoxymethyl)pyrrolidin-3-yl]acetonitrile
CID 163394278
3-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]propan-1-ol
CID 102227670
(4R)-4-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]-4-phenylmethoxybutan-1-ol
CID 138966726
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
CID 71714058
(2S,4S)-2-[(1R)-1,2-bis(phenylmethoxy)ethyl]-1-[(1R)-1-phenylethyl]piperidin-4-ol
CID 102305105
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
2-phenyl-1-[1-[(1S)-1-phenylethyl]aziridin-2-yl]ethanol
CID 142660938
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine?
The IUPAC name of (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine (CID 10869250) is (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine.
What is the SMILES notation for (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine?
The canonical SMILES for (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine is C[C@@H](c1ccccc1)N1C[C@H]1COCc1ccccc1.
What is the InChIKey of (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine?
The InChIKey is GSSBCOPWVHCCJL-SIYBWXAISA-N. The full InChI is InChI=1S/C18H21NO/c1-15(17-10-6-3-7-11-17)19-12-18(19)14-20-13-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3/t15-,18-,19?/m0/s1.
What are the key properties of (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine?
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine has a molecular weight of 267.37 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine is sourced from PubChem (CID 10869250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).