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

C11H15N — CID 118155644

IUPAC(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
SMILESCc1ccccc1N1[C@H](C)[C@@H]1C
InChIInChI=1S/C11H15N/c1-8-6-4-5-7-11(8)12-9(2)10(12)3/h4-7,9-10H,1-3H3/t9-,10+,12?
InChIKeyLAPRMGSATQYNFK-DHHPTOIESA-N
MW161.25 g/mol
LogP2.59
Rot. Bonds1

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

(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine (PubChem CID 118155644) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine.

Molecular Properties

Compound Name(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
PubChem CID118155644
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
SMILESCc1ccccc1N1[C@H](C)[C@@H]1C
InChIInChI=1S/C11H15N/c1-8-6-4-5-7-11(8)12-9(2)10(12)3/h4-7,9-10H,1-3H3/t9-,10+,12?
InChIKeyLAPRMGSATQYNFK-DHHPTOIESA-N
XLogP2.59
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.59
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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Related Compounds

(2S,6R)-2,6-dimethyl-1-(2-methylphenyl)piperazine
CID 27311881
(3S)-3-methyl-2-(2-methylphenyl)-1-phenyl-3,3a-dihydro-1H-imidazo[5,1-b][1,3]benzoxazole
CID 166958977
(5S)-5-methyl-1-(2-methylphenyl)-3,4-diphenyl-2-(trideuteriomethyl)imidazolidine
CID 162706060
(4S)-2-deuterio-1,4,5-trimethyl-3-(2-methylphenyl)imidazolidine
CID 162706210
(5S)-4-cyclopentyl-2,5-dimethyl-1-(2-methylphenyl)-3-phenylimidazolidine
CID 162706558
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454239
(1S)-1,3-dimethyl-2-(2-methylphenyl)-7,7-diphenyl-3,7a-dihydro-1H-pyrrolo[1,2-c]imidazole
CID 162706504
(1S)-5-deuterio-3-(2,6-dimethylphenyl)-1,5-dimethyl-2-(2-methylphenyl)-3,9b-dihydro-1H-imidazo[5,1-a]isoindole
CID 162705992
2-[2-methyl-3-(2-methylphenyl)-2H-benzimidazol-1-yl]aniline
CID 123952526
(4S)-5-cyclopentyl-1-deuterio-4-methyl-3-(2-methylphenyl)-2-(trideuteriomethyl)imidazolidine
CID 162706377
(2S)-1,2-dimethyl-3-(2-methylphenyl)imidazolidine
CID 121449628

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine?
The IUPAC name of (2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine (CID 118155644) is (2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine.
What is the SMILES notation for (2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine?
The canonical SMILES for (2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine is Cc1ccccc1N1[C@H](C)[C@@H]1C.
What is the InChIKey of (2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine?
The InChIKey is LAPRMGSATQYNFK-DHHPTOIESA-N. The full InChI is InChI=1S/C11H15N/c1-8-6-4-5-7-11(8)12-9(2)10(12)3/h4-7,9-10H,1-3H3/t9-,10+,12?.
What are the key properties of (2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine?
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine has a molecular weight of 161.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine is sourced from PubChem (CID 118155644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).