3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine

C19H22ClN — CID 79451031

IUPAC3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
SMILESCc1cc(C)c(CC2(c3ccc(Cl)cc3)CNC2)c(C)c1
InChIInChI=1S/C19H22ClN/c1-13-8-14(2)18(15(3)9-13)10-19(11-21-12-19)16-4-6-17(20)7-5-16/h4-9,21H,10-12H2,1-3H3
InChIKeyAAVIQWVNIZHFAX-UHFFFAOYSA-N
MW299.85 g/mol
LogP4.35
Rot. Bonds3

About 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine

3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine (PubChem CID 79451031) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
PubChem CID79451031
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
SMILESCc1cc(C)c(CC2(c3ccc(Cl)cc3)CNC2)c(C)c1
InChIInChI=1S/C19H22ClN/c1-13-8-14(2)18(15(3)9-13)10-19(11-21-12-19)16-4-6-17(20)7-5-16/h4-9,21H,10-12H2,1-3H3
InChIKeyAAVIQWVNIZHFAX-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-(3-chlorophenyl)cyclohexyl)-N-methylmethanamine
CID 53317167
1-(1-(4-chlorophenyl)cyclohexyl)-N-methylmethanamine
CID 53321059
3-[5-Chloro-2-(3,4-dimethylphenyl)phenyl]pyrrolidine
CID 46206344
1-[1-(4-chloro-3-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 58954940
1-[1-(4-chlorophenyl)cyclohexyl]-N-methylethanamine
CID 68673059
1-[1-(4-chlorophenyl)cyclohexyl]-N,2-dimethylpropan-1-amine
CID 68674711
2-[5-chloro-4-(2-fluorophenyl)-2-methylphenyl]-N-methylpropan-1-amine
CID 68216503
N-[(4-tert-butylphenyl)methyl]-2-(4-chloro-3-fluorophenyl)ethanamine
CID 68848902
[Rac]-(4-tert-butyl-benzyl)-[2-(4-chloro-phenyl)-2-fluoro-ethyl]-amine
CID 69341923
(5S)-8-(2-chlorophenyl)-5-fluoro-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
CID 69418966
3-(4-Chloro-3-fluorophenyl)-3-propan-2-ylazetidine
CID 171593517
N-(4-chlorobenzyl)-1-((1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)methanamine
CID 178183415

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine?
The IUPAC name of 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine (CID 79451031) is 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine?
The canonical SMILES for 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine is Cc1cc(C)c(CC2(c3ccc(Cl)cc3)CNC2)c(C)c1.
What is the InChIKey of 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine?
The InChIKey is AAVIQWVNIZHFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-13-8-14(2)18(15(3)9-13)10-19(11-21-12-19)16-4-6-17(20)7-5-16/h4-9,21H,10-12H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine?
3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine has a molecular weight of 299.85 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine is sourced from PubChem (CID 79451031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).