3-[(2,4-dimethylphenyl)methyl]azetidine

C12H17N — CID 16780033

IUPAC3-[(2,4-dimethylphenyl)methyl]azetidine
SMILESCc1ccc(CC2CNC2)c(C)c1
InChIInChI=1S/C12H17N/c1-9-3-4-12(10(2)5-9)6-11-7-13-8-11/h3-5,11,13H,6-8H2,1-2H3
InChIKeySMXMBCISMZPOGE-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.07
Rot. Bonds2

About 3-[(2,4-dimethylphenyl)methyl]azetidine

3-[(2,4-dimethylphenyl)methyl]azetidine (PubChem CID 16780033) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methyl]azetidine
PubChem CID16780033
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name3-[(2,4-dimethylphenyl)methyl]azetidine
SMILESCc1ccc(CC2CNC2)c(C)c1
InChIInChI=1S/C12H17N/c1-9-3-4-12(10(2)5-9)6-11-7-13-8-11/h3-5,11,13H,6-8H2,1-2H3
InChIKeySMXMBCISMZPOGE-UHFFFAOYSA-N
XLogP2.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
3-[(2-tert-butyl-4-methylphenyl)methyl]azetidine
CID 126490319
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659
2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81318671
3-[(4-chloro-2-methylphenyl)methyl]pyrrolidine
CID 83688595
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
3-[(2,4-dimethylphenyl)methyl]-1-(3-fluoropropyl)azetidine
CID 163262685
3-[(2,4-dimethylphenyl)sulfonylmethyl]azetidine
CID 117032073
3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine
CID 178127637
N-[2-(2,4-dimethylphenyl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210856
ethane;3-[(2-ethyl-5-propan-2-ylphenyl)methyl]azetidine
CID 178127636
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methyl]azetidine?
The IUPAC name of 3-[(2,4-dimethylphenyl)methyl]azetidine (CID 16780033) is 3-[(2,4-dimethylphenyl)methyl]azetidine.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methyl]azetidine?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methyl]azetidine is Cc1ccc(CC2CNC2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methyl]azetidine?
The InChIKey is SMXMBCISMZPOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-3-4-12(10(2)5-9)6-11-7-13-8-11/h3-5,11,13H,6-8H2,1-2H3.
What are the key properties of 3-[(2,4-dimethylphenyl)methyl]azetidine?
3-[(2,4-dimethylphenyl)methyl]azetidine has a molecular weight of 175.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methyl]azetidine is sourced from PubChem (CID 16780033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).