3-(4-cyclohexylphenyl)azetidine;hydrochloride

C15H22ClN — CID 154791480

IUPAC3-(4-cyclohexylphenyl)azetidine;hydrochloride
SMILESCl.c1cc(C2CNC2)ccc1C1CCCCC1
InChIInChI=1S/C15H21N.ClH/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-16-11-15;/h6-9,12,15-16H,1-5,10-11H2;1H
InChIKeyLAIJJDBZFIRCQI-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.84
Rot. Bonds2

About 3-(4-cyclohexylphenyl)azetidine;hydrochloride

3-(4-cyclohexylphenyl)azetidine;hydrochloride (PubChem CID 154791480) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)azetidine;hydrochloride
PubChem CID154791480
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name3-(4-cyclohexylphenyl)azetidine;hydrochloride
SMILESCl.c1cc(C2CNC2)ccc1C1CCCCC1
InChIInChI=1S/C15H21N.ClH/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-16-11-15;/h6-9,12,15-16H,1-5,10-11H2;1H
InChIKeyLAIJJDBZFIRCQI-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(4-cyclohexylsulfonylphenyl)azetidine
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CID 55250938
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
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CID 175056737
CID 159076923
CID 159076923
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CID 71742220
cyclohexylbenzene;titanium;trihydrochloride
CID 173441767
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
3-[4-(4-methylphenyl)phenyl]azetidine
CID 154791478
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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)azetidine;hydrochloride?
The IUPAC name of 3-(4-cyclohexylphenyl)azetidine;hydrochloride (CID 154791480) is 3-(4-cyclohexylphenyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(4-cyclohexylphenyl)azetidine;hydrochloride?
The canonical SMILES for 3-(4-cyclohexylphenyl)azetidine;hydrochloride is Cl.c1cc(C2CNC2)ccc1C1CCCCC1.
What is the InChIKey of 3-(4-cyclohexylphenyl)azetidine;hydrochloride?
The InChIKey is LAIJJDBZFIRCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.ClH/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-16-11-15;/h6-9,12,15-16H,1-5,10-11H2;1H.
What are the key properties of 3-(4-cyclohexylphenyl)azetidine;hydrochloride?
3-(4-cyclohexylphenyl)azetidine;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)azetidine;hydrochloride is sourced from PubChem (CID 154791480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).