2-(2-methoxyphenyl)-2-propylazetidine

C13H19NO — CID 115058535

IUPAC2-(2-methoxyphenyl)-2-propylazetidine
SMILESCCCC1(c2ccccc2OC)CCN1
InChIInChI=1S/C13H19NO/c1-3-8-13(9-10-14-13)11-6-4-5-7-12(11)15-2/h4-7,14H,3,8-10H2,1-2H3
InChIKeyMBVCDQXAKMWMKP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.68
Rot. Bonds4

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

2-(2-methoxyphenyl)-2-propylazetidine (PubChem CID 115058535) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-propylazetidine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-propylazetidine
PubChem CID115058535
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(2-methoxyphenyl)-2-propylazetidine
SMILESCCCC1(c2ccccc2OC)CCN1
InChIInChI=1S/C13H19NO/c1-3-8-13(9-10-14-13)11-6-4-5-7-12(11)15-2/h4-7,14H,3,8-10H2,1-2H3
InChIKeyMBVCDQXAKMWMKP-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

2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine
CID 104660354
[2-(2-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 115103415
2-(2,4-dimethoxyphenyl)-2-propylpyrrolidine
CID 66465346
2-(2-methoxyphenyl)-2-propyl-1,3-dioxolane
CID 83957658
2-(3-methoxyphenyl)-2-propylazetidine
CID 115058563
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
2-[(2-methoxyphenyl)methyl]-2-methylpyrrolidine
CID 66466669
4-(2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 82290945
4-methoxy-2-(2-propylpyrrolidin-2-yl)-1,3-benzoxazole
CID 106978073
3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine
CID 62354378

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-propylazetidine?
The IUPAC name of 2-(2-methoxyphenyl)-2-propylazetidine (CID 115058535) is 2-(2-methoxyphenyl)-2-propylazetidine.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-propylazetidine?
The canonical SMILES for 2-(2-methoxyphenyl)-2-propylazetidine is CCCC1(c2ccccc2OC)CCN1.
What is the InChIKey of 2-(2-methoxyphenyl)-2-propylazetidine?
The InChIKey is MBVCDQXAKMWMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-8-13(9-10-14-13)11-6-4-5-7-12(11)15-2/h4-7,14H,3,8-10H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-2-propylazetidine?
2-(2-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-(2-methoxyphenyl)-2-propylazetidine is sourced from PubChem (CID 115058535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).