1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine

C21H21NOS — CID 67154602

IUPAC1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine
SMILESc1ccc(C(c2ccccc2)N2CC(OCc3cccs3)C2)cc1
InChIInChI=1S/C21H21NOS/c1-3-8-17(9-4-1)21(18-10-5-2-6-11-18)22-14-19(15-22)23-16-20-12-7-13-24-20/h1-13,19,21H,14-16H2
InChIKeyCXRNXQPVOBHLRR-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.74
Rot. Bonds6

About 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine

1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine (PubChem CID 67154602) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine.

Molecular Properties

Compound Name1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine
PubChem CID67154602
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC Name1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine
SMILESc1ccc(C(c2ccccc2)N2CC(OCc3cccs3)C2)cc1
InChIInChI=1S/C21H21NOS/c1-3-8-17(9-4-1)21(18-10-5-2-6-11-18)22-14-19(15-22)23-16-20-12-7-13-24-20/h1-13,19,21H,14-16H2
InChIKeyCXRNXQPVOBHLRR-UHFFFAOYSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine?
The IUPAC name of 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine (CID 67154602) is 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine.
What is the SMILES notation for 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine?
The canonical SMILES for 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine is c1ccc(C(c2ccccc2)N2CC(OCc3cccs3)C2)cc1.
What is the InChIKey of 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine?
The InChIKey is CXRNXQPVOBHLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-3-8-17(9-4-1)21(18-10-5-2-6-11-18)22-14-19(15-22)23-16-20-12-7-13-24-20/h1-13,19,21H,14-16H2.
What are the key properties of 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine?
1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine has a molecular weight of 335.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(thiophen-2-ylmethoxy)azetidine is sourced from PubChem (CID 67154602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).