1-(4-tert-butylphenyl)-2-phenylaziridine

C18H21N — CID 24756001

IUPAC1-(4-tert-butylphenyl)-2-phenylaziridine
SMILESCC(C)(C)c1ccc(N2CC2c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-18(2,3)15-9-11-16(12-10-15)19-13-17(19)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3
InChIKeyPPNXESYPRXDGOV-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.55
Rot. Bonds2

About 1-(4-tert-butylphenyl)-2-phenylaziridine

1-(4-tert-butylphenyl)-2-phenylaziridine (PubChem CID 24756001) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-phenylaziridine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-phenylaziridine
PubChem CID24756001
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name1-(4-tert-butylphenyl)-2-phenylaziridine
SMILESCC(C)(C)c1ccc(N2CC2c2ccccc2)cc1
InChIInChI=1S/C18H21N/c1-18(2,3)15-9-11-16(12-10-15)19-13-17(19)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3
InChIKeyPPNXESYPRXDGOV-UHFFFAOYSA-N
XLogP4.55
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.55
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

1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
CID 64937509
(2S)-2-(4-tert-butylphenyl)-1-(2,4,6-trifluorophenyl)aziridine
CID 164685440
5-(4-tert-butylphenyl)-4-phenyl-3-(4-phenylphenyl)-1,3-thiazolidine
CID 174950429
(3R,5R)-1,5-diphenylpyrrolidin-3-amine
CID 125491761
1-(4-bromophenyl)-5-ethyl-2-phenylpiperazine
CID 64935672
2-(4-tert-butylphenyl)-3-phenyl-1,3-dihydropyrazole
CID 150273975
2-(3,4-dimethoxyphenyl)-1-phenylaziridine
CID 10682448
5-(4-tert-butylphenyl)-10-phenylphenazine
CID 90180989
1-(4-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]aziridine
CID 89119970
(2R)-1-chloro-2-phenylaziridine
CID 13129910
1-[4-(4-methyl-2-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43823529

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-phenylaziridine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-phenylaziridine (CID 24756001) is 1-(4-tert-butylphenyl)-2-phenylaziridine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-phenylaziridine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-phenylaziridine is CC(C)(C)c1ccc(N2CC2c2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-phenylaziridine?
The InChIKey is PPNXESYPRXDGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-18(2,3)15-9-11-16(12-10-15)19-13-17(19)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-phenylaziridine?
1-(4-tert-butylphenyl)-2-phenylaziridine has a molecular weight of 251.37 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-phenylaziridine is sourced from PubChem (CID 24756001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).