3-[3,4-di(propan-2-yl)phenyl]azetidine

C15H23N — CID 176820214

IUPAC3-[3,4-di(propan-2-yl)phenyl]azetidine
SMILESCC(C)c1ccc(C2CNC2)cc1C(C)C
InChIInChI=1S/C15H23N/c1-10(2)14-6-5-12(13-8-16-9-13)7-15(14)11(3)4/h5-7,10-11,13,16H,8-9H2,1-4H3
InChIKeyLEEVOJNHUZUBHB-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.62
Rot. Bonds3

About 3-[3,4-di(propan-2-yl)phenyl]azetidine

3-[3,4-di(propan-2-yl)phenyl]azetidine (PubChem CID 176820214) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-[3,4-di(propan-2-yl)phenyl]azetidine.

Molecular Properties

Compound Name3-[3,4-di(propan-2-yl)phenyl]azetidine
PubChem CID176820214
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-[3,4-di(propan-2-yl)phenyl]azetidine
SMILESCC(C)c1ccc(C2CNC2)cc1C(C)C
InChIInChI=1S/C15H23N/c1-10(2)14-6-5-12(13-8-16-9-13)7-15(14)11(3)4/h5-7,10-11,13,16H,8-9H2,1-4H3
InChIKeyLEEVOJNHUZUBHB-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dimethylphenyl)azetidine
CID 82280235
3-naphthalen-2-ylazetidine
CID 116962282
3-(3-methyl-4-propan-2-yloxyphenyl)azetidine
CID 82283172
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine
CID 82302394
4-(azetidin-3-yl)-N-propan-2-ylaniline
CID 130058010
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525
4-piperidin-4-yl-2-propan-2-ylbenzonitrile
CID 91599912
3-(4-fluorophenyl)azetidine
CID 55250938
3-[4-(4-methylphenyl)phenyl]azetidine
CID 154791478
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-di(propan-2-yl)phenyl]azetidine?
The IUPAC name of 3-[3,4-di(propan-2-yl)phenyl]azetidine (CID 176820214) is 3-[3,4-di(propan-2-yl)phenyl]azetidine.
What is the SMILES notation for 3-[3,4-di(propan-2-yl)phenyl]azetidine?
The canonical SMILES for 3-[3,4-di(propan-2-yl)phenyl]azetidine is CC(C)c1ccc(C2CNC2)cc1C(C)C.
What is the InChIKey of 3-[3,4-di(propan-2-yl)phenyl]azetidine?
The InChIKey is LEEVOJNHUZUBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10(2)14-6-5-12(13-8-16-9-13)7-15(14)11(3)4/h5-7,10-11,13,16H,8-9H2,1-4H3.
What are the key properties of 3-[3,4-di(propan-2-yl)phenyl]azetidine?
3-[3,4-di(propan-2-yl)phenyl]azetidine has a molecular weight of 217.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-di(propan-2-yl)phenyl]azetidine is sourced from PubChem (CID 176820214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).