2-benzyl-4-phenyltriazetidine

C14H15N3 — CID 121323485

IUPAC2-benzyl-4-phenyltriazetidine
SMILESc1ccc(CN2NC(c3ccccc3)N2)cc1
InChIInChI=1S/C14H15N3/c1-3-7-12(8-4-1)11-17-15-14(16-17)13-9-5-2-6-10-13/h1-10,14-16H,11H2
InChIKeyBNIYRAWXFVSCPP-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.21
Rot. Bonds3

About 2-benzyl-4-phenyltriazetidine

2-benzyl-4-phenyltriazetidine (PubChem CID 121323485) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-benzyl-4-phenyltriazetidine.

Molecular Properties

Compound Name2-benzyl-4-phenyltriazetidine
PubChem CID121323485
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-benzyl-4-phenyltriazetidine
SMILESc1ccc(CN2NC(c3ccccc3)N2)cc1
InChIInChI=1S/C14H15N3/c1-3-7-12(8-4-1)11-17-15-14(16-17)13-9-5-2-6-10-13/h1-10,14-16H,11H2
InChIKeyBNIYRAWXFVSCPP-UHFFFAOYSA-N
XLogP2.21
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
CID 138962724
1-benzyl-3-phenyl-2,3-dihydroindazole
CID 173105604
1-benzyl-2,4,5-triphenylimidazolidine
CID 12733567
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
(4R,5S)-1-benzyl-4-methyl-5-phenylimidazolidine-2-thione
CID 170900554
(4aS,8aS)-3,7-dibenzyl-2,4,4a,6,8,8a-hexahydro-[1,3]oxazino[6,5-e][1,3]oxazine
CID 10853443
(5S)-1-benzyl-5-phenylimidazolidine-2,4-dione
CID 28819549
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(1R,2S,5S)-3-benzyl-2-phenyl-3-azabicyclo[3.1.0]hexane
CID 10857864
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-phenyltriazetidine?
The IUPAC name of 2-benzyl-4-phenyltriazetidine (CID 121323485) is 2-benzyl-4-phenyltriazetidine.
What is the SMILES notation for 2-benzyl-4-phenyltriazetidine?
The canonical SMILES for 2-benzyl-4-phenyltriazetidine is c1ccc(CN2NC(c3ccccc3)N2)cc1.
What is the InChIKey of 2-benzyl-4-phenyltriazetidine?
The InChIKey is BNIYRAWXFVSCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-7-12(8-4-1)11-17-15-14(16-17)13-9-5-2-6-10-13/h1-10,14-16H,11H2.
What are the key properties of 2-benzyl-4-phenyltriazetidine?
2-benzyl-4-phenyltriazetidine has a molecular weight of 225.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-phenyltriazetidine is sourced from PubChem (CID 121323485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).