2-methyl-1-(1-phenylcyclohexyl)azetidine

C16H23N — CID 156552462

IUPAC2-methyl-1-(1-phenylcyclohexyl)azetidine
SMILESCC1CCN1C1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N/c1-14-10-13-17(14)16(11-6-3-7-12-16)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyDZXJVJJFTDPUKK-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.94
Rot. Bonds2

About 2-methyl-1-(1-phenylcyclohexyl)azetidine

2-methyl-1-(1-phenylcyclohexyl)azetidine (PubChem CID 156552462) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylcyclohexyl)azetidine.

Molecular Properties

Compound Name2-methyl-1-(1-phenylcyclohexyl)azetidine
PubChem CID156552462
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-methyl-1-(1-phenylcyclohexyl)azetidine
SMILESCC1CCN1C1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H23N/c1-14-10-13-17(14)16(11-6-3-7-12-16)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyDZXJVJJFTDPUKK-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylazetidin-1-yl)-2-phenylcyclohexan-1-one
CID 156538426
4-phenyl-1-(1-phenylcyclohexyl)piperidine;hydrochloride
CID 3030621
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
CID 138398579
3-(dimethylamino)-4-(3-hydroxyphenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol
CID 174454202
3-(dimethylamino)-4-(2-fluorophenyl)-2-methyl-1-(1-phenylcyclohexyl)piperidin-4-ol;dihydrochloride
CID 174466591
3-phenyl-3-piperidin-1-ylcyclohexan-1-ol
CID 524773
(3S,4R)-3-[(dimethylamino)methyl]-1-(1-phenylcyclohexyl)piperidin-4-ol
CID 142168350
1-[1-(4-phenylphenyl)cyclohexyl]piperidine
CID 12704483
(4aS,8aS)-2-methyl-4a-phenyl-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 22824819
N,N-dimethyl-1-[(3S)-3,5,5-trimethyl-1-(1-phenylcyclohexyl)azepan-4-yl]methanamine
CID 142168349
8a-phenyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 611743

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylcyclohexyl)azetidine?
The IUPAC name of 2-methyl-1-(1-phenylcyclohexyl)azetidine (CID 156552462) is 2-methyl-1-(1-phenylcyclohexyl)azetidine.
What is the SMILES notation for 2-methyl-1-(1-phenylcyclohexyl)azetidine?
The canonical SMILES for 2-methyl-1-(1-phenylcyclohexyl)azetidine is CC1CCN1C1(c2ccccc2)CCCCC1.
What is the InChIKey of 2-methyl-1-(1-phenylcyclohexyl)azetidine?
The InChIKey is DZXJVJJFTDPUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-14-10-13-17(14)16(11-6-3-7-12-16)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3.
What are the key properties of 2-methyl-1-(1-phenylcyclohexyl)azetidine?
2-methyl-1-(1-phenylcyclohexyl)azetidine has a molecular weight of 229.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylcyclohexyl)azetidine is sourced from PubChem (CID 156552462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).