(2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine

C12H17N — CID 59591642

IUPAC(2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine
SMILESCc1cc(C)c([C@H]2N[C@H]2C)c(C)c1
InChIInChI=1S/C12H17N/c1-7-5-8(2)11(9(3)6-7)12-10(4)13-12/h5-6,10,12-13H,1-4H3/t10-,12-/m0/s1
InChIKeyHJHXYSOSDCTEIO-JQWIXIFHSA-N
MW175.27 g/mol
LogP2.64
Rot. Bonds1

About (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine

(2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine (PubChem CID 59591642) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine
PubChem CID59591642
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine
SMILESCc1cc(C)c([C@H]2N[C@H]2C)c(C)c1
InChIInChI=1S/C12H17N/c1-7-5-8(2)11(9(3)6-7)12-10(4)13-12/h5-6,10,12-13H,1-4H3/t10-,12-/m0/s1
InChIKeyHJHXYSOSDCTEIO-JQWIXIFHSA-N
XLogP2.64
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 116829218
aziridine;(2R,3S)-3-(2,4,6-trimethylphenyl)aziridine-2-carboxylic acid
CID 160806727
3-methyl-5-(2,4,6-trimethylphenyl)pyrazolidine
CID 78292069
(2R)-2-(2,4,6-trimethylphenyl)azetidine;hydrochloride
CID 171197280
4-(2,4,6-trimethylphenyl)azetidin-2-one
CID 64664712
5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-1,4,5,10,11,14,15,20,21,22,23,24-dodecahydroporphyrin
CID 146157249
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
ethane;1,5,7-trimethyl-2,3-dihydro-1H-indene
CID 166534855
lithium 1,5,7-trimethyl-1,2-dihydroinden-2-ide
CID 155716688
2-methyl-5-(2,4,6-trimethylphenyl)morpholine
CID 82286014
(2,4,6-trimethylphenyl)-(2,4,6-trimethylphenyl)phosphanylidenephosphane
CID 23413764
(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane
CID 10569042

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine?
The IUPAC name of (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine (CID 59591642) is (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine.
What is the SMILES notation for (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine?
The canonical SMILES for (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine is Cc1cc(C)c([C@H]2N[C@H]2C)c(C)c1.
What is the InChIKey of (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine?
The InChIKey is HJHXYSOSDCTEIO-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H17N/c1-7-5-8(2)11(9(3)6-7)12-10(4)13-12/h5-6,10,12-13H,1-4H3/t10-,12-/m0/s1.
What are the key properties of (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine?
(2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine has a molecular weight of 175.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine is sourced from PubChem (CID 59591642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).