2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine

C14H21NO2 — CID 117228329

IUPAC2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
SMILESCOc1ccccc1CC1(C)NC(C)(C)CO1
InChIInChI=1S/C14H21NO2/c1-13(2)10-17-14(3,15-13)9-11-7-5-6-8-12(11)16-4/h5-8,15H,9-10H2,1-4H3
InChIKeyRKHHBQUAQSXWEP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.35
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine

2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine (PubChem CID 117228329) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
PubChem CID117228329
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine
SMILESCOc1ccccc1CC1(C)NC(C)(C)CO1
InChIInChI=1S/C14H21NO2/c1-13(2)10-17-14(3,15-13)9-11-7-5-6-8-12(11)16-4/h5-8,15H,9-10H2,1-4H3
InChIKeyRKHHBQUAQSXWEP-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine (CID 117228329) is 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine is COc1ccccc1CC1(C)NC(C)(C)CO1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine?
The InChIKey is RKHHBQUAQSXWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(2)10-17-14(3,15-13)9-11-7-5-6-8-12(11)16-4/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine?
2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine has a molecular weight of 235.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-2,4,4-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 117228329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).