3-methyl-3-phenylazetidine;hydrochloride

C10H14ClN — CID 75465015

IUPAC3-methyl-3-phenylazetidine;hydrochloride
SMILESCC1(c2ccccc2)CNC1.Cl
InChIInChI=1S/C10H13N.ClH/c1-10(7-11-8-10)9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H
InChIKeyVKEDHMWBQGBXNM-UHFFFAOYSA-N
MW183.68 g/mol
LogP1.97
Rot. Bonds1

About 3-methyl-3-phenylazetidine;hydrochloride

3-methyl-3-phenylazetidine;hydrochloride (PubChem CID 75465015) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 3-methyl-3-phenylazetidine;hydrochloride.

Molecular Properties

Compound Name3-methyl-3-phenylazetidine;hydrochloride
PubChem CID75465015
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name3-methyl-3-phenylazetidine;hydrochloride
SMILESCC1(c2ccccc2)CNC1.Cl
InChIInChI=1S/C10H13N.ClH/c1-10(7-11-8-10)9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H
InChIKeyVKEDHMWBQGBXNM-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenylazetidine;hydrochloride?
The IUPAC name of 3-methyl-3-phenylazetidine;hydrochloride (CID 75465015) is 3-methyl-3-phenylazetidine;hydrochloride.
What is the SMILES notation for 3-methyl-3-phenylazetidine;hydrochloride?
The canonical SMILES for 3-methyl-3-phenylazetidine;hydrochloride is CC1(c2ccccc2)CNC1.Cl.
What is the InChIKey of 3-methyl-3-phenylazetidine;hydrochloride?
The InChIKey is VKEDHMWBQGBXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-10(7-11-8-10)9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H.
What are the key properties of 3-methyl-3-phenylazetidine;hydrochloride?
3-methyl-3-phenylazetidine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenylazetidine;hydrochloride is sourced from PubChem (CID 75465015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).