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

C12H16ClNO — CID 82287755

IUPAC3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
SMILESCOc1c(C)cc(Cl)cc1CC1CNC1
InChIInChI=1S/C12H16ClNO/c1-8-3-11(13)5-10(12(8)15-2)4-9-6-14-7-9/h3,5,9,14H,4,6-7H2,1-2H3
InChIKeyHPACDUZEUJELBA-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.42
Rot. Bonds3

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

3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine (PubChem CID 82287755) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
PubChem CID82287755
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine
SMILESCOc1c(C)cc(Cl)cc1CC1CNC1
InChIInChI=1S/C12H16ClNO/c1-8-3-11(13)5-10(12(8)15-2)4-9-6-14-7-9/h3,5,9,14H,4,6-7H2,1-2H3
InChIKeyHPACDUZEUJELBA-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

2-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 116825296
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116925460
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 3437314
3-[(2,5-dimethoxy-4-methylphenyl)methyl]azetidine
CID 82286623
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
CID 16779967
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine?
The IUPAC name of 3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine (CID 82287755) is 3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine.
What is the SMILES notation for 3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine?
The canonical SMILES for 3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine is COc1c(C)cc(Cl)cc1CC1CNC1.
What is the InChIKey of 3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine?
The InChIKey is HPACDUZEUJELBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-8-3-11(13)5-10(12(8)15-2)4-9-6-14-7-9/h3,5,9,14H,4,6-7H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-methoxy-3-methylphenyl)methyl]azetidine?
3-[(5-chloro-2-methoxy-3-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-2-methoxy-3-methylphenyl)methyl]azetidine is sourced from PubChem (CID 82287755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).