3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine

C17H18ClN — CID 79460298

IUPAC3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
SMILESCc1cccc(CC2(c3cccc(Cl)c3)CNC2)c1
InChIInChI=1S/C17H18ClN/c1-13-4-2-5-14(8-13)10-17(11-19-12-17)15-6-3-7-16(18)9-15/h2-9,19H,10-12H2,1H3
InChIKeyDFIUCZPUPDNKKX-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.73
Rot. Bonds3

About 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine

3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine (PubChem CID 79460298) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
PubChem CID79460298
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine
SMILESCc1cccc(CC2(c3cccc(Cl)c3)CNC2)c1
InChIInChI=1S/C17H18ClN/c1-13-4-2-5-14(8-13)10-17(11-19-12-17)15-6-3-7-16(18)9-15/h2-9,19H,10-12H2,1H3
InChIKeyDFIUCZPUPDNKKX-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]azetidine
CID 79460293
3-[(2-bromophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 79459620
3-(3-chlorophenyl)-3-[(2,5-difluorophenyl)methyl]azetidine
CID 79460198
3-[(4-bromothiophen-2-yl)methyl]-3-(3-chlorophenyl)azetidine
CID 79460593
3-[(2-chloro-3-fluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 115984680
3-chloro-4-[[3-(3-methylphenyl)azetidin-3-yl]methyl]pyridine
CID 79460270
3-[(3-bromo-2,6-difluorophenyl)methyl]-3-(3-chlorophenyl)azetidine
CID 106273183
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489
3-[(2-methoxy-5-methylphenyl)methyl]-3-(3-methylphenyl)azetidine
CID 79459973
3-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)azetidine
CID 79451365
3-benzyl-3-(4-methylphenyl)azetidine
CID 79452492
5-[[3-(3-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
CID 112645466

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine?
The IUPAC name of 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine (CID 79460298) is 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine is Cc1cccc(CC2(c3cccc(Cl)c3)CNC2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine?
The InChIKey is DFIUCZPUPDNKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-13-4-2-5-14(8-13)10-17(11-19-12-17)15-6-3-7-16(18)9-15/h2-9,19H,10-12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine?
3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine has a molecular weight of 271.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-[(3-methylphenyl)methyl]azetidine is sourced from PubChem (CID 79460298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).