1-benzhydryl-3-(chloromethyl)azetidine

C17H18ClN — CID 15015453

IUPAC1-benzhydryl-3-(chloromethyl)azetidine
SMILESClCC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C17H18ClN/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
InChIKeyKDUXQTKMRSAUCD-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.95
Rot. Bonds4

About 1-benzhydryl-3-(chloromethyl)azetidine

1-benzhydryl-3-(chloromethyl)azetidine (PubChem CID 15015453) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-benzhydryl-3-(chloromethyl)azetidine.

Molecular Properties

Compound Name1-benzhydryl-3-(chloromethyl)azetidine
PubChem CID15015453
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name1-benzhydryl-3-(chloromethyl)azetidine
SMILESClCC1CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C17H18ClN/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2
InChIKeyKDUXQTKMRSAUCD-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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1-[(1-benzhydrylazetidin-3-yl)methyl]-4-bromopyrazole
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CID 91616896
1-benzhydryl-N-(2,2-difluoroethyl)azetidin-3-amine
CID 155893038
2-(1-benzhydrylazetidin-3-yl)oxyethanol
CID 142434667
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CID 131875139
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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(chloromethyl)azetidine?
The IUPAC name of 1-benzhydryl-3-(chloromethyl)azetidine (CID 15015453) is 1-benzhydryl-3-(chloromethyl)azetidine.
What is the SMILES notation for 1-benzhydryl-3-(chloromethyl)azetidine?
The canonical SMILES for 1-benzhydryl-3-(chloromethyl)azetidine is ClCC1CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-benzhydryl-3-(chloromethyl)azetidine?
The InChIKey is KDUXQTKMRSAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2.
What are the key properties of 1-benzhydryl-3-(chloromethyl)azetidine?
1-benzhydryl-3-(chloromethyl)azetidine has a molecular weight of 271.79 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(chloromethyl)azetidine is sourced from PubChem (CID 15015453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).