3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride

C10H14ClFN2 — CID 166608796

IUPAC3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride
SMILESCc1cccc(F)c1C1(N)CNC1.Cl
InChIInChI=1S/C10H13FN2.ClH/c1-7-3-2-4-8(11)9(7)10(12)5-13-6-10;/h2-4,13H,5-6,12H2,1H3;1H
InChIKeyCGGAZHMVENMNIU-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.31
Rot. Bonds1

About 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride

3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride (PubChem CID 166608796) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride
PubChem CID166608796
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride
SMILESCc1cccc(F)c1C1(N)CNC1.Cl
InChIInChI=1S/C10H13FN2.ClH/c1-7-3-2-4-8(11)9(7)10(12)5-13-6-10;/h2-4,13H,5-6,12H2,1H3;1H
InChIKeyCGGAZHMVENMNIU-UHFFFAOYSA-N
XLogP1.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride?
The IUPAC name of 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride (CID 166608796) is 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride is Cc1cccc(F)c1C1(N)CNC1.Cl.
What is the InChIKey of 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride?
The InChIKey is CGGAZHMVENMNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2.ClH/c1-7-3-2-4-8(11)9(7)10(12)5-13-6-10;/h2-4,13H,5-6,12H2,1H3;1H.
What are the key properties of 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride?
3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride has a molecular weight of 216.69 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 166608796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).