1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine

C11H15FN2O — CID 104792857

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
SMILESCOc1cccc(CN2CC(N)C2)c1F
InChIInChI=1S/C11H15FN2O/c1-15-10-4-2-3-8(11(10)12)5-14-6-9(13)7-14/h2-4,9H,5-7,13H2,1H3
InChIKeyCTFDFAHMOFHSBA-UHFFFAOYSA-N
MW210.25 g/mol
LogP0.98
Rot. Bonds3

About 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine

1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine (PubChem CID 104792857) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
PubChem CID104792857
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
SMILESCOc1cccc(CN2CC(N)C2)c1F
InChIInChI=1S/C11H15FN2O/c1-15-10-4-2-3-8(11(10)12)5-14-6-9(13)7-14/h2-4,9H,5-7,13H2,1H3
InChIKeyCTFDFAHMOFHSBA-UHFFFAOYSA-N
XLogP0.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
3-(bromomethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 104794921
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684119
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453904
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453903
4-[4-[(2-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 104791362
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 113453941
[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 104792901
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine
CID 104794950
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 104792774

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine (CID 104792857) is 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine is COc1cccc(CN2CC(N)C2)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
The InChIKey is CTFDFAHMOFHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-15-10-4-2-3-8(11(10)12)5-14-6-9(13)7-14/h2-4,9H,5-7,13H2,1H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine has a molecular weight of 210.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 104792857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).