1-[[4-(chloromethyl)phenyl]methyl]azetidine

C11H14ClN — CID 134561394

IUPAC1-[[4-(chloromethyl)phenyl]methyl]azetidine
SMILESClCc1ccc(CN2CCC2)cc1
InChIInChI=1S/C11H14ClN/c12-8-10-2-4-11(5-3-10)9-13-6-1-7-13/h2-5H,1,6-9H2
InChIKeyGYZZLTMDTROKBI-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.63
Rot. Bonds3

About 1-[[4-(chloromethyl)phenyl]methyl]azetidine

1-[[4-(chloromethyl)phenyl]methyl]azetidine (PubChem CID 134561394) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-[[4-(chloromethyl)phenyl]methyl]azetidine.

Molecular Properties

Compound Name1-[[4-(chloromethyl)phenyl]methyl]azetidine
PubChem CID134561394
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-[[4-(chloromethyl)phenyl]methyl]azetidine
SMILESClCc1ccc(CN2CCC2)cc1
InChIInChI=1S/C11H14ClN/c12-8-10-2-4-11(5-3-10)9-13-6-1-7-13/h2-5H,1,6-9H2
InChIKeyGYZZLTMDTROKBI-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(2-chloroethyl)phenyl]methyl]pyrrolidine
CID 69499407
1-tert-butyl-4-[[4-(chloromethyl)phenyl]methyl]piperazine
CID 67328022
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[4-[[4-(chloromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 175453209
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[2-[4-(chloromethyl)phenoxy]ethyl]azetidine;hydrochloride
CID 175600849
1-benzylazepane
CID 10954328
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(chloromethyl)phenyl]methyl]azetidine?
The IUPAC name of 1-[[4-(chloromethyl)phenyl]methyl]azetidine (CID 134561394) is 1-[[4-(chloromethyl)phenyl]methyl]azetidine.
What is the SMILES notation for 1-[[4-(chloromethyl)phenyl]methyl]azetidine?
The canonical SMILES for 1-[[4-(chloromethyl)phenyl]methyl]azetidine is ClCc1ccc(CN2CCC2)cc1.
What is the InChIKey of 1-[[4-(chloromethyl)phenyl]methyl]azetidine?
The InChIKey is GYZZLTMDTROKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c12-8-10-2-4-11(5-3-10)9-13-6-1-7-13/h2-5H,1,6-9H2.
What are the key properties of 1-[[4-(chloromethyl)phenyl]methyl]azetidine?
1-[[4-(chloromethyl)phenyl]methyl]azetidine has a molecular weight of 195.69 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(chloromethyl)phenyl]methyl]azetidine is sourced from PubChem (CID 134561394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).