2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol

C14H21NO2 — CID 82838435

IUPAC2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol
SMILESCc1ccccc1NC(CO)C1CCC(C)O1
InChIInChI=1S/C14H21NO2/c1-10-5-3-4-6-12(10)15-13(9-16)14-8-7-11(2)17-14/h3-6,11,13-16H,7-9H2,1-2H3
InChIKeyXMNBBDDWXACQBO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds4

About 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol

2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol (PubChem CID 82838435) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol
PubChem CID82838435
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol
SMILESCc1ccccc1NC(CO)C1CCC(C)O1
InChIInChI=1S/C14H21NO2/c1-10-5-3-4-6-12(10)15-13(9-16)14-8-7-11(2)17-14/h3-6,11,13-16H,7-9H2,1-2H3
InChIKeyXMNBBDDWXACQBO-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol?
The IUPAC name of 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol (CID 82838435) is 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol.
What is the SMILES notation for 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol?
The canonical SMILES for 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol is Cc1ccccc1NC(CO)C1CCC(C)O1.
What is the InChIKey of 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol?
The InChIKey is XMNBBDDWXACQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-3-4-6-12(10)15-13(9-16)14-8-7-11(2)17-14/h3-6,11,13-16H,7-9H2,1-2H3.
What are the key properties of 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol?
2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-2-(5-methyloxolan-2-yl)ethanol is sourced from PubChem (CID 82838435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).