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

C16H17N — CID 71369134

IUPAC2-phenyl-1-[(1S)-1-phenylethyl]aziridine
SMILESC[C@@H](c1ccccc1)N1CC1c1ccccc1
InChIInChI=1S/C16H17N/c1-13(14-8-4-2-5-9-14)17-12-16(17)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16?,17?/m0/s1
InChIKeyUKEOYMRKZNJBTJ-IGEOTXOUSA-N
MW223.32 g/mol
LogP3.80
Rot. Bonds3

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

2-phenyl-1-[(1S)-1-phenylethyl]aziridine (PubChem CID 71369134) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-phenyl-1-[(1S)-1-phenylethyl]aziridine.

Molecular Properties

Compound Name2-phenyl-1-[(1S)-1-phenylethyl]aziridine
PubChem CID71369134
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-phenyl-1-[(1S)-1-phenylethyl]aziridine
SMILESC[C@@H](c1ccccc1)N1CC1c1ccccc1
InChIInChI=1S/C16H17N/c1-13(14-8-4-2-5-9-14)17-12-16(17)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16?,17?/m0/s1
InChIKeyUKEOYMRKZNJBTJ-IGEOTXOUSA-N
XLogP3.80
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-phenyl-1-[(1S)-1-phenylethyl]aziridine?
The IUPAC name of 2-phenyl-1-[(1S)-1-phenylethyl]aziridine (CID 71369134) is 2-phenyl-1-[(1S)-1-phenylethyl]aziridine.
What is the SMILES notation for 2-phenyl-1-[(1S)-1-phenylethyl]aziridine?
The canonical SMILES for 2-phenyl-1-[(1S)-1-phenylethyl]aziridine is C[C@@H](c1ccccc1)N1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-[(1S)-1-phenylethyl]aziridine?
The InChIKey is UKEOYMRKZNJBTJ-IGEOTXOUSA-N. The full InChI is InChI=1S/C16H17N/c1-13(14-8-4-2-5-9-14)17-12-16(17)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16?,17?/m0/s1.
What are the key properties of 2-phenyl-1-[(1S)-1-phenylethyl]aziridine?
2-phenyl-1-[(1S)-1-phenylethyl]aziridine has a molecular weight of 223.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(1S)-1-phenylethyl]aziridine is sourced from PubChem (CID 71369134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).