1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol

C15H24FNO3 — CID 144811327

IUPAC1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol
SMILESCO.COc1cc(CCCN2CCC2)cc(F)c1OC
InChIInChI=1S/C14H20FNO2.CH4O/c1-17-13-10-11(9-12(15)14(13)18-2)5-3-6-16-7-4-8-16;1-2/h9-10H,3-8H2,1-2H3;2H,1H3
InChIKeyBPYQSNWSOKGPLF-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.09
Rot. Bonds6

About 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol

1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol (PubChem CID 144811327) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol.

Molecular Properties

Compound Name1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol
PubChem CID144811327
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol
SMILESCO.COc1cc(CCCN2CCC2)cc(F)c1OC
InChIInChI=1S/C14H20FNO2.CH4O/c1-17-13-10-11(9-12(15)14(13)18-2)5-3-6-16-7-4-8-16;1-2/h9-10H,3-8H2,1-2H3;2H,1H3
InChIKeyBPYQSNWSOKGPLF-UHFFFAOYSA-N
XLogP2.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propyl]pyrrolidine
CID 144811313
1,4-bis[5-(3,4,5-trimethoxyphenyl)pentyl]-1,4-diazepane
CID 15227840
1-methyl-4-[3-(3,4,5-trimethoxyphenyl)propyl]piperazine
CID 170862320
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695
2-[4-(5-chlorothiophen-2-yl)phenyl]-2,2-difluoroacetamide;1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]pyrrolidine
CID 144811208
2,3-dimethoxy-5-(2-piperidin-1-ylethyl)phenol
CID 174530545
3,4,5-trimethoxy-N-[3-[4-[3-(3,4,5-trimethoxyanilino)propyl]-1,4-diazepan-1-yl]propyl]aniline
CID 15728776
2-[4-(1-cyclopropylindazol-6-yl)phenyl]-2-oxoacetamide;1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine
CID 144811218
1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]pyrrolidine;(3R)-1-[6-(4-fluorophenyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 144839851
2,3-dimethoxy-5-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 82070771
1-methyl-4-[2-(3,4,5-trimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 3070229
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251546

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol?
The IUPAC name of 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol (CID 144811327) is 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol.
What is the SMILES notation for 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol?
The canonical SMILES for 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol is CO.COc1cc(CCCN2CCC2)cc(F)c1OC.
What is the InChIKey of 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol?
The InChIKey is BPYQSNWSOKGPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2.CH4O/c1-17-13-10-11(9-12(15)14(13)18-2)5-3-6-16-7-4-8-16;1-2/h9-10H,3-8H2,1-2H3;2H,1H3.
What are the key properties of 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol?
1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol has a molecular weight of 285.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-4,5-dimethoxyphenyl)propyl]azetidine;methanol is sourced from PubChem (CID 144811327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).