2-methyl-4-(4-phenylphenyl)azetidine

C16H17N — CID 116821976

IUPAC2-methyl-4-(4-phenylphenyl)azetidine
SMILESCC1CC(c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C16H17N/c1-12-11-16(17-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16-17H,11H2,1H3
InChIKeyOBGXUYOXFUOQNX-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.78
Rot. Bonds2

About 2-methyl-4-(4-phenylphenyl)azetidine

2-methyl-4-(4-phenylphenyl)azetidine (PubChem CID 116821976) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylphenyl)azetidine.

Molecular Properties

Compound Name2-methyl-4-(4-phenylphenyl)azetidine
PubChem CID116821976
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name2-methyl-4-(4-phenylphenyl)azetidine
SMILESCC1CC(c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C16H17N/c1-12-11-16(17-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16-17H,11H2,1H3
InChIKeyOBGXUYOXFUOQNX-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4S,6R)-2-methyl-6-phenylpiperidin-4-ol
CID 15480231
(2S,4R,6S)-2-methyl-6-phenylpiperidin-4-ol
CID 82656257
2-methyl-6-phenylpiperidin-4-ol
CID 5254857
2-methyl-4-(4-propan-2-ylphenyl)azetidine
CID 116821931
6-methyl-3-(4-phenylphenyl)-1,4-thiazepane
CID 66227757
2-(3-bromophenyl)-4-methylazetidine
CID 116822056
(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine
CID 95365998
1-(4-methylcyclohexyl)-4-phenylbenzene
CID 18720904
2-(4-methylazetidin-2-yl)pyridine
CID 116822058
2-(2-fluorophenyl)-4-methylazetidine
CID 116822055
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylphenyl)azetidine?
The IUPAC name of 2-methyl-4-(4-phenylphenyl)azetidine (CID 116821976) is 2-methyl-4-(4-phenylphenyl)azetidine.
What is the SMILES notation for 2-methyl-4-(4-phenylphenyl)azetidine?
The canonical SMILES for 2-methyl-4-(4-phenylphenyl)azetidine is CC1CC(c2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of 2-methyl-4-(4-phenylphenyl)azetidine?
The InChIKey is OBGXUYOXFUOQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-12-11-16(17-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16-17H,11H2,1H3.
What are the key properties of 2-methyl-4-(4-phenylphenyl)azetidine?
2-methyl-4-(4-phenylphenyl)azetidine has a molecular weight of 223.32 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylphenyl)azetidine is sourced from PubChem (CID 116821976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).