1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine

C12H16ClNO — CID 53230360

IUPAC1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine
SMILESCOC1(C)CN(Cc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO/c1-12(15-2)8-14(9-12)7-10-5-3-4-6-11(10)13/h3-6H,7-9H2,1-2H3
InChIKeyGQFDPMZVNBWDSV-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.56
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine

1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine (PubChem CID 53230360) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine
PubChem CID53230360
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine
SMILESCOC1(C)CN(Cc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO/c1-12(15-2)8-14(9-12)7-10-5-3-4-6-11(10)13/h3-6H,7-9H2,1-2H3
InChIKeyGQFDPMZVNBWDSV-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(2-chlorophenyl)methyl]-3-cyclopropyl-3-methyl-1,4-diazepane
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(3R)-8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine (CID 53230360) is 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine is COC1(C)CN(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine?
The InChIKey is GQFDPMZVNBWDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(15-2)8-14(9-12)7-10-5-3-4-6-11(10)13/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine?
1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine has a molecular weight of 225.72 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-methoxy-3-methylazetidine is sourced from PubChem (CID 53230360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).