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

C13H19FN2O — CID 113453903

IUPAC3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
SMILESCCC1(N)CN(Cc2cccc(OC)c2F)C1
InChIInChI=1S/C13H19FN2O/c1-3-13(15)8-16(9-13)7-10-5-4-6-11(17-2)12(10)14/h4-6H,3,7-9,15H2,1-2H3
InChIKeyBGHNJQSEBFKSKD-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.76
Rot. Bonds4

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

3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine (PubChem CID 113453903) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
PubChem CID113453903
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
SMILESCCC1(N)CN(Cc2cccc(OC)c2F)C1
InChIInChI=1S/C13H19FN2O/c1-3-13(15)8-16(9-13)7-10-5-4-6-11(17-2)12(10)14/h4-6H,3,7-9,15H2,1-2H3
InChIKeyBGHNJQSEBFKSKD-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluoro-3-methoxyphenyl)methyl]-3-propylazetidin-3-amine
CID 104794950
3-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453904
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
3-amino-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324318
4-[4-[(2-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]butan-1-amine
CID 104791362
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
1-[(2-fluoro-3-methoxyphenyl)methyl]-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161826
1-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylsulfanylpiperidine-4-carbothioamide
CID 104792164
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 104792411
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
The IUPAC name of 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine (CID 113453903) is 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine.
What is the SMILES notation for 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
The canonical SMILES for 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine is CCC1(N)CN(Cc2cccc(OC)c2F)C1.
What is the InChIKey of 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
The InChIKey is BGHNJQSEBFKSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-13(15)8-16(9-13)7-10-5-4-6-11(17-2)12(10)14/h4-6H,3,7-9,15H2,1-2H3.
What are the key properties of 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine?
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine has a molecular weight of 238.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine is sourced from PubChem (CID 113453903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).