3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine

C10H13FN2O — CID 166607967

IUPAC3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
SMILESCOc1ccc(F)cc1C1(N)CNC1
InChIInChI=1S/C10H13FN2O/c1-14-9-3-2-7(11)4-8(9)10(12)5-13-6-10/h2-4,13H,5-6,12H2,1H3
InChIKeyJPBVTPWZRZOPHZ-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.59
Rot. Bonds2

About 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine

3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine (PubChem CID 166607967) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
PubChem CID166607967
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine
SMILESCOc1ccc(F)cc1C1(N)CNC1
InChIInChI=1S/C10H13FN2O/c1-14-9-3-2-7(11)4-8(9)10(12)5-13-6-10/h2-4,13H,5-6,12H2,1H3
InChIKeyJPBVTPWZRZOPHZ-UHFFFAOYSA-N
XLogP0.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870
4-(5-fluoro-2-methoxyphenyl)oxan-4-amine
CID 80503676
3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride
CID 166607949
4-(5-fluoro-2-methoxyphenyl)oxepan-4-amine
CID 82770544
3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol
CID 83688912
3-ethyl-1-(5-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82769169
3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607942
1-(4-fluoro-2-methoxyphenyl)cyclopentan-1-amine
CID 82612097
2-(5-fluoro-2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83959412
4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride
CID 18623234
4-(chloromethyl)-4-(5-fluoro-2-methoxyphenyl)oxane
CID 82089670
3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
CID 166608984

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine (CID 166607967) is 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine is COc1ccc(F)cc1C1(N)CNC1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine?
The InChIKey is JPBVTPWZRZOPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-14-9-3-2-7(11)4-8(9)10(12)5-13-6-10/h2-4,13H,5-6,12H2,1H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine?
3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine has a molecular weight of 196.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)azetidin-3-amine is sourced from PubChem (CID 166607967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).