3-[(2-methylphenyl)methyl]azetidine;hydrochloride

C11H16ClN — CID 122164367

IUPAC3-[(2-methylphenyl)methyl]azetidine;hydrochloride
SMILESCc1ccccc1CC1CNC1.Cl
InChIInChI=1S/C11H15N.ClH/c1-9-4-2-3-5-11(9)6-10-7-12-8-10;/h2-5,10,12H,6-8H2,1H3;1H
InChIKeyUTIHFFCSJQNTET-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.18
Rot. Bonds2

About 3-[(2-methylphenyl)methyl]azetidine;hydrochloride

3-[(2-methylphenyl)methyl]azetidine;hydrochloride (PubChem CID 122164367) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(2-methylphenyl)methyl]azetidine;hydrochloride
PubChem CID122164367
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name3-[(2-methylphenyl)methyl]azetidine;hydrochloride
SMILESCc1ccccc1CC1CNC1.Cl
InChIInChI=1S/C11H15N.ClH/c1-9-4-2-3-5-11(9)6-10-7-12-8-10;/h2-5,10,12H,6-8H2,1H3;1H
InChIKeyUTIHFFCSJQNTET-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 3-[(2-methylphenyl)methyl]azetidine;hydrochloride (CID 122164367) is 3-[(2-methylphenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[(2-methylphenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 3-[(2-methylphenyl)methyl]azetidine;hydrochloride is Cc1ccccc1CC1CNC1.Cl.
What is the InChIKey of 3-[(2-methylphenyl)methyl]azetidine;hydrochloride?
The InChIKey is UTIHFFCSJQNTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-9-4-2-3-5-11(9)6-10-7-12-8-10;/h2-5,10,12H,6-8H2,1H3;1H.
What are the key properties of 3-[(2-methylphenyl)methyl]azetidine;hydrochloride?
3-[(2-methylphenyl)methyl]azetidine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 122164367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).