1-[(2-methylphenyl)methyl]azetidine;hydrochloride

C11H16ClN — CID 166756979

IUPAC1-[(2-methylphenyl)methyl]azetidine;hydrochloride
SMILESCc1ccccc1CN1CCC1.Cl
InChIInChI=1S/C11H15N.ClH/c1-10-5-2-3-6-11(10)9-12-7-4-8-12;/h2-3,5-6H,4,7-9H2,1H3;1H
InChIKeyKDIQPCDLXCCQGN-UHFFFAOYSA-N
MW197.71 g/mol
LogP2.62
Rot. Bonds2

About 1-[(2-methylphenyl)methyl]azetidine;hydrochloride

1-[(2-methylphenyl)methyl]azetidine;hydrochloride (PubChem CID 166756979) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]azetidine;hydrochloride.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]azetidine;hydrochloride
PubChem CID166756979
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name1-[(2-methylphenyl)methyl]azetidine;hydrochloride
SMILESCc1ccccc1CN1CCC1.Cl
InChIInChI=1S/C11H15N.ClH/c1-10-5-2-3-6-11(10)9-12-7-4-8-12;/h2-3,5-6H,4,7-9H2,1H3;1H
InChIKeyKDIQPCDLXCCQGN-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]azetidine;hydrochloride?
The IUPAC name of 1-[(2-methylphenyl)methyl]azetidine;hydrochloride (CID 166756979) is 1-[(2-methylphenyl)methyl]azetidine;hydrochloride.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]azetidine;hydrochloride?
The canonical SMILES for 1-[(2-methylphenyl)methyl]azetidine;hydrochloride is Cc1ccccc1CN1CCC1.Cl.
What is the InChIKey of 1-[(2-methylphenyl)methyl]azetidine;hydrochloride?
The InChIKey is KDIQPCDLXCCQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.ClH/c1-10-5-2-3-6-11(10)9-12-7-4-8-12;/h2-3,5-6H,4,7-9H2,1H3;1H.
What are the key properties of 1-[(2-methylphenyl)methyl]azetidine;hydrochloride?
1-[(2-methylphenyl)methyl]azetidine;hydrochloride has a molecular weight of 197.71 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]azetidine;hydrochloride is sourced from PubChem (CID 166756979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).