3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride

C10H14ClFN2 — CID 166607949

IUPAC3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride
SMILESCc1ccc(F)cc1C1(N)CNC1.Cl
InChIInChI=1S/C10H13FN2.ClH/c1-7-2-3-8(11)4-9(7)10(12)5-13-6-10;/h2-4,13H,5-6,12H2,1H3;1H
InChIKeyMHVCYTLXPRQSAY-UHFFFAOYSA-N
MW216.69 g/mol
LogP1.31
Rot. Bonds1

About 3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride

3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride (PubChem CID 166607949) has the molecular formula C10H14ClFN2 and a molecular weight of 216.69 g/mol. Its IUPAC name is 3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride
PubChem CID166607949
Molecular FormulaC10H14ClFN2
Molecular Weight216.69 g/mol
Exact Mass216.08
IUPAC Name3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride
SMILESCc1ccc(F)cc1C1(N)CNC1.Cl
InChIInChI=1S/C10H13FN2.ClH/c1-7-2-3-8(11)4-9(7)10(12)5-13-6-10;/h2-4,13H,5-6,12H2,1H3;1H
InChIKeyMHVCYTLXPRQSAY-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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Related Compounds

3-(5-chloro-2-methylphenyl)azetidin-3-amine
CID 166608836
3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
CID 166607967
1-(5-fluoro-2-methylphenyl)-3,3-dimethylcyclopentan-1-amine
CID 80692665
3-(2-fluoro-4-methylphenyl)azetidin-3-amine;hydrochloride
CID 166607898
3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607942
3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
CID 166608984
1-(5-fluoro-2-methylphenyl)-3-methylcyclopentan-1-amine
CID 64515524
3-(5-fluoro-2-methylphenyl)piperidin-3-ol
CID 63587351
3-(4-chloro-2-methylphenyl)azetidin-3-amine
CID 166608774
3-(2-fluoro-6-methylphenyl)azetidin-3-amine;hydrochloride
CID 166608796
3-(4-methylnaphthalen-1-yl)azetidin-3-amine
CID 166608721
1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757984

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride?
The IUPAC name of 3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride (CID 166607949) is 3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride is Cc1ccc(F)cc1C1(N)CNC1.Cl.
What is the InChIKey of 3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride?
The InChIKey is MHVCYTLXPRQSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2.ClH/c1-7-2-3-8(11)4-9(7)10(12)5-13-6-10;/h2-4,13H,5-6,12H2,1H3;1H.
What are the key properties of 3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride?
3-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 166607949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).