3-methyl-1-(4-phenylcyclohexyl)azetidine

C16H23N — CID 90791432

IUPAC3-methyl-1-(4-phenylcyclohexyl)azetidine
SMILESCC1CN(C2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C16H23N/c1-13-11-17(12-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3
InChIKeyBOGUQYGJKQYSGN-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.66
Rot. Bonds2

About 3-methyl-1-(4-phenylcyclohexyl)azetidine

3-methyl-1-(4-phenylcyclohexyl)azetidine (PubChem CID 90791432) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-methyl-1-(4-phenylcyclohexyl)azetidine.

Molecular Properties

Compound Name3-methyl-1-(4-phenylcyclohexyl)azetidine
PubChem CID90791432
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-methyl-1-(4-phenylcyclohexyl)azetidine
SMILESCC1CN(C2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C16H23N/c1-13-11-17(12-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3
InChIKeyBOGUQYGJKQYSGN-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid
CID 116684623
benzene;cyclopropylbenzene
CID 144638417
1-(4-phenylcyclohexyl)piperazine chloride
CID 53347254
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785
1-phenyl-4-[1-(4-phenylcyclohexyl)piperidin-4-yl]piperazine
CID 1317152
1-cyclopropyl-N-ethyl-5-phenylpiperidin-3-amine
CID 83990517
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
CID 26458344
N,1-dicyclopropyl-5-phenylpiperidin-3-amine
CID 83991790
[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 18720884
2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
CID 19958540
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-phenylcyclohexyl)azetidine?
The IUPAC name of 3-methyl-1-(4-phenylcyclohexyl)azetidine (CID 90791432) is 3-methyl-1-(4-phenylcyclohexyl)azetidine.
What is the SMILES notation for 3-methyl-1-(4-phenylcyclohexyl)azetidine?
The canonical SMILES for 3-methyl-1-(4-phenylcyclohexyl)azetidine is CC1CN(C2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of 3-methyl-1-(4-phenylcyclohexyl)azetidine?
The InChIKey is BOGUQYGJKQYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-13-11-17(12-13)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,13,15-16H,7-12H2,1H3.
What are the key properties of 3-methyl-1-(4-phenylcyclohexyl)azetidine?
3-methyl-1-(4-phenylcyclohexyl)azetidine has a molecular weight of 229.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-phenylcyclohexyl)azetidine is sourced from PubChem (CID 90791432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).