2-(3-methoxyphenyl)-2-propylazetidine

C13H19NO — CID 115058563

IUPAC2-(3-methoxyphenyl)-2-propylazetidine
SMILESCCCC1(c2cccc(OC)c2)CCN1
InChIInChI=1S/C13H19NO/c1-3-7-13(8-9-14-13)11-5-4-6-12(10-11)15-2/h4-6,10,14H,3,7-9H2,1-2H3
InChIKeyGYTDQFLICUEBHN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds4

About 2-(3-methoxyphenyl)-2-propylazetidine

2-(3-methoxyphenyl)-2-propylazetidine (PubChem CID 115058563) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-propylazetidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-propylazetidine
PubChem CID115058563
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(3-methoxyphenyl)-2-propylazetidine
SMILESCCCC1(c2cccc(OC)c2)CCN1
InChIInChI=1S/C13H19NO/c1-3-7-13(8-9-14-13)11-5-4-6-12(10-11)15-2/h4-6,10,14H,3,7-9H2,1-2H3
InChIKeyGYTDQFLICUEBHN-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-propylazetidin-2-yl)phenol
CID 115058562
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
CID 115035973
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
2-(2-methoxyphenyl)-2-propylazetidine
CID 115058535
2-(3-methoxyphenyl)-2-methylpiperidine
CID 83532633
2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
CID 174481601
3-(3-methoxyphenyl)-4,4-dimethyl-3-propylpiperidine-2,6-dione
CID 21425372
2-(2,4-dimethoxyphenyl)-2-propylpyrrolidine
CID 66465346
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
(3S)-3-butyl-3-(3-methoxyphenyl)azetidin-2-one
CID 125485596
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-propylazetidine?
The IUPAC name of 2-(3-methoxyphenyl)-2-propylazetidine (CID 115058563) is 2-(3-methoxyphenyl)-2-propylazetidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-propylazetidine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-propylazetidine is CCCC1(c2cccc(OC)c2)CCN1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-propylazetidine?
The InChIKey is GYTDQFLICUEBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-7-13(8-9-14-13)11-5-4-6-12(10-11)15-2/h4-6,10,14H,3,7-9H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-2-propylazetidine?
2-(3-methoxyphenyl)-2-propylazetidine has a molecular weight of 205.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-propylazetidine is sourced from PubChem (CID 115058563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).