1-benzhydryl-2,2-dimethylazetidin-3-ol

C18H21NO — CID 10378300

IUPAC1-benzhydryl-2,2-dimethylazetidin-3-ol
SMILESCC1(C)C(O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-18(2)16(20)13-19(18)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,20H,13H2,1-2H3
InChIKeyYRDDKKNUZORKDG-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.23
Rot. Bonds3

About 1-benzhydryl-2,2-dimethylazetidin-3-ol

1-benzhydryl-2,2-dimethylazetidin-3-ol (PubChem CID 10378300) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-benzhydryl-2,2-dimethylazetidin-3-ol.

Molecular Properties

Compound Name1-benzhydryl-2,2-dimethylazetidin-3-ol
PubChem CID10378300
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-benzhydryl-2,2-dimethylazetidin-3-ol
SMILESCC1(C)C(O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO/c1-18(2)16(20)13-19(18)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,20H,13H2,1-2H3
InChIKeyYRDDKKNUZORKDG-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-2,2-dimethylazetidin-3-ol?
The IUPAC name of 1-benzhydryl-2,2-dimethylazetidin-3-ol (CID 10378300) is 1-benzhydryl-2,2-dimethylazetidin-3-ol.
What is the SMILES notation for 1-benzhydryl-2,2-dimethylazetidin-3-ol?
The canonical SMILES for 1-benzhydryl-2,2-dimethylazetidin-3-ol is CC1(C)C(O)CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-2,2-dimethylazetidin-3-ol?
The InChIKey is YRDDKKNUZORKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2)16(20)13-19(18)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-17,20H,13H2,1-2H3.
What are the key properties of 1-benzhydryl-2,2-dimethylazetidin-3-ol?
1-benzhydryl-2,2-dimethylazetidin-3-ol has a molecular weight of 267.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2,2-dimethylazetidin-3-ol is sourced from PubChem (CID 10378300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).