3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine

C18H25N — CID 79550208

IUPAC3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine
SMILESCc1ccc(C2(CC3CC4CCC3C4)CNC2)cc1
InChIInChI=1S/C18H25N/c1-13-2-6-17(7-3-13)18(11-19-12-18)10-16-9-14-4-5-15(16)8-14/h2-3,6-7,14-16,19H,4-5,8-12H2,1H3
InChIKeySHPUSQUYPRTFAL-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.66
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine

3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine (PubChem CID 79550208) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine
PubChem CID79550208
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine
SMILESCc1ccc(C2(CC3CC4CCC3C4)CNC2)cc1
InChIInChI=1S/C18H25N/c1-13-2-6-17(7-3-13)18(11-19-12-18)10-16-9-14-4-5-15(16)8-14/h2-3,6-7,14-16,19H,4-5,8-12H2,1H3
InChIKeySHPUSQUYPRTFAL-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine with MolForge

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Related Compounds

3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)azetidine
CID 79550569
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-chlorophenyl)azetidine
CID 79550928
3-(cyclopropylmethoxymethyl)-3-(4-methylphenyl)azetidine
CID 106931474
3-benzyl-3-(4-methylphenyl)azetidine
CID 79452492
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743
3-(2-bicyclo[2.2.1]heptanylmethyl)azetidine-3-carboxylic acid
CID 130806394
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)propan-1-ol
CID 79550468
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dihydroinden-2-ol
CID 79558173
2-(aminomethyl)-3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)propan-1-ol
CID 106508625
3-(2-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79563380
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 55198191

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine (CID 79550208) is 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine is Cc1ccc(C2(CC3CC4CCC3C4)CNC2)cc1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine?
The InChIKey is SHPUSQUYPRTFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-13-2-6-17(7-3-13)18(11-19-12-18)10-16-9-14-4-5-15(16)8-14/h2-3,6-7,14-16,19H,4-5,8-12H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine?
3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine has a molecular weight of 255.41 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-methylphenyl)azetidine is sourced from PubChem (CID 79550208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).