2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline

C15H23NO2 — CID 82836648

IUPAC2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline
SMILESCCOCc1ccccc1NCC1CCC(C)O1
InChIInChI=1S/C15H23NO2/c1-3-17-11-13-6-4-5-7-15(13)16-10-14-9-8-12(2)18-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyHSUJMNGMPHGEID-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.20
Rot. Bonds6

About 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline

2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline (PubChem CID 82836648) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline
PubChem CID82836648
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline
SMILESCCOCc1ccccc1NCC1CCC(C)O1
InChIInChI=1S/C15H23NO2/c1-3-17-11-13-6-4-5-7-15(13)16-10-14-9-8-12(2)18-14/h4-7,12,14,16H,3,8-11H2,1-2H3
InChIKeyHSUJMNGMPHGEID-UHFFFAOYSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline?
The IUPAC name of 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline (CID 82836648) is 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline is CCOCc1ccccc1NCC1CCC(C)O1.
What is the InChIKey of 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline?
The InChIKey is HSUJMNGMPHGEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-17-11-13-6-4-5-7-15(13)16-10-14-9-8-12(2)18-14/h4-7,12,14,16H,3,8-11H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline?
2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline has a molecular weight of 249.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline is sourced from PubChem (CID 82836648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).