3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine

C13H18FNO — CID 104795594

IUPAC3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
SMILESCCC1(Cc2cccc(OC)c2F)CNC1
InChIInChI=1S/C13H18FNO/c1-3-13(8-15-9-13)7-10-5-4-6-11(16-2)12(10)14/h4-6,15H,3,7-9H2,1-2H3
InChIKeyDEDXLCMDIOZDOL-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.38
Rot. Bonds4

About 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine

3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine (PubChem CID 104795594) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine.

Molecular Properties

Compound Name3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
PubChem CID104795594
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
SMILESCCC1(Cc2cccc(OC)c2F)CNC1
InChIInChI=1S/C13H18FNO/c1-3-13(8-15-9-13)7-10-5-4-6-11(16-2)12(10)14/h4-6,15H,3,7-9H2,1-2H3
InChIKeyDEDXLCMDIOZDOL-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 104795426
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 113453870
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
1-(3-ethylpyrrolidin-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116570400
3-[(2,4-difluorophenyl)methyl]-3-ethylazetidine
CID 79451763
3-[(2,3-dichlorophenyl)methyl]-3-ethylazetidine
CID 107310931
3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine
CID 79451831
1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104794738
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 113453903
3-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 104792796

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine?
The IUPAC name of 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine (CID 104795594) is 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine.
What is the SMILES notation for 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine?
The canonical SMILES for 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine is CCC1(Cc2cccc(OC)c2F)CNC1.
What is the InChIKey of 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine?
The InChIKey is DEDXLCMDIOZDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-13(8-15-9-13)7-10-5-4-6-11(16-2)12(10)14/h4-6,15H,3,7-9H2,1-2H3.
What are the key properties of 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine?
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine has a molecular weight of 223.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine is sourced from PubChem (CID 104795594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).