[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone

C19H21NO — CID 24725316

IUPAC[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2ccccc2CN2CCC2)c1
InChIInChI=1S/C19H21NO/c1-14-10-15(2)12-17(11-14)19(21)18-7-4-3-6-16(18)13-20-8-5-9-20/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3
InChIKeyWTAPUPVWRHDEAA-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.74
Rot. Bonds4

About [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone

[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone (PubChem CID 24725316) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
PubChem CID24725316
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)c2ccccc2CN2CCC2)c1
InChIInChI=1S/C19H21NO/c1-14-10-15(2)12-17(11-14)19(21)18-7-4-3-6-16(18)13-20-8-5-9-20/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3
InChIKeyWTAPUPVWRHDEAA-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
[2-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24725290
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
[2-(azetidin-1-ylmethyl)phenyl]-(4-chlorophenyl)methanone
CID 24725308
[2-(azetidin-1-ylmethyl)phenyl]-(3-fluorophenyl)methanone
CID 24725309
[2-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3-methylphenyl)methanone
CID 24725519
2-[2-(azetidin-1-ylmethyl)benzoyl]benzonitrile
CID 24725297
[2-(azetidin-1-ylmethyl)phenyl]-(2-methylsulfanylphenyl)methanone
CID 24725303
(3-bromophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725191
(3,4-difluorophenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725221
(3,4-dimethylphenyl)-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725485
[2-(azetidin-1-ylmethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 24725330

Frequently Asked Questions

What is the IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone?
The IUPAC name of [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone (CID 24725316) is [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone?
The canonical SMILES for [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)c2ccccc2CN2CCC2)c1.
What is the InChIKey of [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone?
The InChIKey is WTAPUPVWRHDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-10-15(2)12-17(11-14)19(21)18-7-4-3-6-16(18)13-20-8-5-9-20/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3.
What are the key properties of [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone?
[2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone has a molecular weight of 279.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azetidin-1-ylmethyl)phenyl]-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 24725316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).