(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine

C12H17N — CID 25150644

IUPAC(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine
SMILESCc1ccccc1[C@@]1(C)[C@@H](C)N1C
InChIInChI=1S/C12H17N/c1-9-7-5-6-8-11(9)12(3)10(2)13(12)4/h5-8,10H,1-4H3/t10-,12-,13?/m1/s1
InChIKeyWORBFIXQSZZCHH-HLVWMGJTSA-N
MW175.28 g/mol
LogP2.54
Rot. Bonds1

About (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine

(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine (PubChem CID 25150644) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine.

Molecular Properties

Compound Name(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine
PubChem CID25150644
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine
SMILESCc1ccccc1[C@@]1(C)[C@@H](C)N1C
InChIInChI=1S/C12H17N/c1-9-7-5-6-8-11(9)12(3)10(2)13(12)4/h5-8,10H,1-4H3/t10-,12-,13?/m1/s1
InChIKeyWORBFIXQSZZCHH-HLVWMGJTSA-N
XLogP2.54
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine?
The IUPAC name of (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine (CID 25150644) is (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine.
What is the SMILES notation for (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine?
The canonical SMILES for (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine is Cc1ccccc1[C@@]1(C)[C@@H](C)N1C.
What is the InChIKey of (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine?
The InChIKey is WORBFIXQSZZCHH-HLVWMGJTSA-N. The full InChI is InChI=1S/C12H17N/c1-9-7-5-6-8-11(9)12(3)10(2)13(12)4/h5-8,10H,1-4H3/t10-,12-,13?/m1/s1.
What are the key properties of (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine?
(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine has a molecular weight of 175.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine is sourced from PubChem (CID 25150644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).