3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine

C12H16ClNO — CID 82287742

IUPAC3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
SMILESCOc1cc(C)c(CC2CNC2)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-3-12(15-2)11(13)5-10(8)4-9-6-14-7-9/h3,5,9,14H,4,6-7H2,1-2H3
InChIKeyUZSMIINTSPYQIT-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.42
Rot. Bonds3

About 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine

3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine (PubChem CID 82287742) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
PubChem CID82287742
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
SMILESCOc1cc(C)c(CC2CNC2)cc1Cl
InChIInChI=1S/C12H16ClNO/c1-8-3-12(15-2)11(13)5-10(8)4-9-6-14-7-9/h3,5,9,14H,4,6-7H2,1-2H3
InChIKeyUZSMIINTSPYQIT-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
CID 82287755
3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
CID 16779967
4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
N-(azetidin-3-ylmethyl)-2-methoxy-4,5-dimethylaniline
CID 115207226
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
CID 116926457
4-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]piperidine
CID 117398047
3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84789080
1-chloro-2-methoxy-4-methyl-5-(2,2,2-trifluoroethyl)benzene
CID 116932143

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine?
The IUPAC name of 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine (CID 82287742) is 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine is COc1cc(C)c(CC2CNC2)cc1Cl.
What is the InChIKey of 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine?
The InChIKey is UZSMIINTSPYQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-3-12(15-2)11(13)5-10(8)4-9-6-14-7-9/h3,5,9,14H,4,6-7H2,1-2H3.
What are the key properties of 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine?
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine has a molecular weight of 225.72 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine is sourced from PubChem (CID 82287742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).