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

C11H15N — CID 25150642

IUPAC(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
SMILESCc1ccccc1[C@H]1[C@@H](C)N1C
InChIInChI=1S/C11H15N/c1-8-6-4-5-7-10(8)11-9(2)12(11)3/h4-7,9,11H,1-3H3/t9-,11-,12?/m1/s1
InChIKeyMENLRYTXJKUNCR-DFWSTUSTSA-N
MW161.25 g/mol
LogP2.37
Rot. Bonds1

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

(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine (PubChem CID 25150642) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine.

Molecular Properties

Compound Name(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
PubChem CID25150642
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
SMILESCc1ccccc1[C@H]1[C@@H](C)N1C
InChIInChI=1S/C11H15N/c1-8-6-4-5-7-10(8)11-9(2)12(11)3/h4-7,9,11H,1-3H3/t9-,11-,12?/m1/s1
InChIKeyMENLRYTXJKUNCR-DFWSTUSTSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,3S)-1,2-dimethyl-3-(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

Related Compounds

(2S,3R)-1-benzhydryl-2-methyl-3-(2-methylphenyl)aziridine
CID 59961059
(1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 15685658
1,2,2,3-tetramethyl-4-(2-methylphenyl)pyrrolidine
CID 130451575
3-tert-butyl-1,2-dimethyl-4-(2-methylphenyl)pyrrolidine
CID 130439558
(2S,3R)-2,3-dimethyl-1-(2-methylphenyl)aziridine
CID 118155644
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
(2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane
CID 137454235
1,5,5,6,6,6a,11-heptamethyl-11H-isoindolo[2,1-a]quinoline
CID 162295631
2,4-dimethyl-5-(2-methylphenyl)-1,3-dioxolane
CID 118140942
(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine
CID 25150644
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol
CID 21053894

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine?
The IUPAC name of (2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine (CID 25150642) is (2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine.
What is the SMILES notation for (2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine?
The canonical SMILES for (2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine is Cc1ccccc1[C@H]1[C@@H](C)N1C.
What is the InChIKey of (2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine?
The InChIKey is MENLRYTXJKUNCR-DFWSTUSTSA-N. The full InChI is InChI=1S/C11H15N/c1-8-6-4-5-7-10(8)11-9(2)12(11)3/h4-7,9,11H,1-3H3/t9-,11-,12?/m1/s1.
What are the key properties of (2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine?
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine has a molecular weight of 161.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine is sourced from PubChem (CID 25150642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).