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

C11H14ClN — CID 155020955

IUPAC3-[(3-chlorophenyl)methyl]-1-methylazetidine
SMILESCN1CC(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C11H14ClN/c1-13-7-10(8-13)5-9-3-2-4-11(12)6-9/h2-4,6,10H,5,7-8H2,1H3
InChIKeySAVNWDTWCVRALE-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.44
Rot. Bonds2

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

3-[(3-chlorophenyl)methyl]-1-methylazetidine (PubChem CID 155020955) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-methylazetidine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-methylazetidine
PubChem CID155020955
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name3-[(3-chlorophenyl)methyl]-1-methylazetidine
SMILESCN1CC(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C11H14ClN/c1-13-7-10(8-13)5-9-3-2-4-11(12)6-9/h2-4,6,10H,5,7-8H2,1H3
InChIKeySAVNWDTWCVRALE-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 118991788
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934
3-[(3-chlorophenyl)methyl]oxetane
CID 129453186
3-[(3-chlorophenyl)methyl]-1-(2-phenoxyethyl)pyrrolidine
CID 67647985
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
5-[(3-chlorophenyl)methyl]-1-methylpiperazin-2-one
CID 116817372
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158
2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658979
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
2-(3-chlorophenyl)-1-(4-methylmorpholin-2-yl)ethanone
CID 79077716
1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methylazetidine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methylazetidine (CID 155020955) is 3-[(3-chlorophenyl)methyl]-1-methylazetidine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-methylazetidine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-methylazetidine is CN1CC(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-methylazetidine?
The InChIKey is SAVNWDTWCVRALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-13-7-10(8-13)5-9-3-2-4-11(12)6-9/h2-4,6,10H,5,7-8H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-methylazetidine?
3-[(3-chlorophenyl)methyl]-1-methylazetidine has a molecular weight of 195.69 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-methylazetidine is sourced from PubChem (CID 155020955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).