3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine

C14H20ClNO — CID 79452394

IUPAC3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCC1(c2ccc(Cl)cc2)CNC1
InChIInChI=1S/C14H20ClNO/c1-11(2)17-8-7-14(9-16-10-14)12-3-5-13(15)6-4-12/h3-6,11,16H,7-10H2,1-2H3
InChIKeySAJVGWSRCMPYHQ-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.00
Rot. Bonds5

About 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine

3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine (PubChem CID 79452394) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine
PubChem CID79452394
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine
SMILESCC(C)OCCC1(c2ccc(Cl)cc2)CNC1
InChIInChI=1S/C14H20ClNO/c1-11(2)17-8-7-14(9-16-10-14)12-3-5-13(15)6-4-12/h3-6,11,16H,7-10H2,1-2H3
InChIKeySAJVGWSRCMPYHQ-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromophenyl)-3-(2-propan-2-yloxyethyl)azetidine
CID 79460844
3-(4-chlorophenyl)-3-(2-methylpentyl)azetidine
CID 79451063
3-(4-chlorophenyl)-3-[(4-ethylphenyl)methyl]azetidine
CID 79451883
3-(4-chlorophenyl)-3-[(2,4,6-trimethylphenyl)methyl]azetidine
CID 79451031
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-(4-methylphenyl)azetidine
CID 104568851
3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
CID 79451271
3-[2-(2-methoxyethoxy)ethyl]-3-phenylazetidine
CID 79452069
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine
CID 19823690
3-(4-chlorophenyl)-3-[(5,5-dimethyloxolan-2-yl)methyl]azetidine
CID 116525360
4-(4-chlorophenyl)-4-(methoxymethyl)piperidine
CID 58117649
4-chloro-N-(2-propan-2-yloxyethyl)aniline
CID 60678961
3-(4-chlorophenyl)-3-[(5-fluoro-2-methylphenyl)methyl]azetidine
CID 105376161

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine?
The IUPAC name of 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine (CID 79452394) is 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine?
The canonical SMILES for 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine is CC(C)OCCC1(c2ccc(Cl)cc2)CNC1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine?
The InChIKey is SAJVGWSRCMPYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(2)17-8-7-14(9-16-10-14)12-3-5-13(15)6-4-12/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine?
3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine has a molecular weight of 253.77 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)azetidine is sourced from PubChem (CID 79452394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).