3-(3-methoxyphenyl)-1-propan-2-ylazetidine

C13H19NO — CID 166469184

IUPAC3-(3-methoxyphenyl)-1-propan-2-ylazetidine
SMILESCOc1cccc(C2CN(C(C)C)C2)c1
InChIInChI=1S/C13H19NO/c1-10(2)14-8-12(9-14)11-5-4-6-13(7-11)15-3/h4-7,10,12H,8-9H2,1-3H3
InChIKeyUERJMMKLHQYAPB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.50
Rot. Bonds3

About 3-(3-methoxyphenyl)-1-propan-2-ylazetidine

3-(3-methoxyphenyl)-1-propan-2-ylazetidine (PubChem CID 166469184) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-propan-2-ylazetidine
PubChem CID166469184
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(3-methoxyphenyl)-1-propan-2-ylazetidine
SMILESCOc1cccc(C2CN(C(C)C)C2)c1
InChIInChI=1S/C13H19NO/c1-10(2)14-8-12(9-14)11-5-4-6-13(7-11)15-3/h4-7,10,12H,8-9H2,1-3H3
InChIKeyUERJMMKLHQYAPB-UHFFFAOYSA-N
XLogP2.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1,1-difluoroethoxy)phenyl]-1-propan-2-ylazetidine
CID 170218120
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
3-(3-methoxyphenyl)oxetane
CID 130113867
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
5-(3-methoxyphenyl)-1-methyl-N-(2-methylpropyl)piperidin-3-amine
CID 83994161
1-methoxy-3-(3-methylidenecyclobutyl)benzene
CID 156818546
3-(1-propan-2-ylazetidin-3-yl)pyridine
CID 58547303
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
1-methoxy-3-(4-methylidenecyclohexyl)benzene
CID 89380194

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(3-methoxyphenyl)-1-propan-2-ylazetidine (CID 166469184) is 3-(3-methoxyphenyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(3-methoxyphenyl)-1-propan-2-ylazetidine is COc1cccc(C2CN(C(C)C)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-propan-2-ylazetidine?
The InChIKey is UERJMMKLHQYAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)14-8-12(9-14)11-5-4-6-13(7-11)15-3/h4-7,10,12H,8-9H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-1-propan-2-ylazetidine?
3-(3-methoxyphenyl)-1-propan-2-ylazetidine has a molecular weight of 205.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 166469184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).