[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine

C13H21NO2 — CID 103487025

IUPAC[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine
SMILESCCOCC(C)OCc1ccccc1CN
InChIInChI=1S/C13H21NO2/c1-3-15-9-11(2)16-10-13-7-5-4-6-12(13)8-14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyURDYXUGJKZWMKG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.09
Rot. Bonds7

About [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine

[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine (PubChem CID 103487025) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine
PubChem CID103487025
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine
SMILESCCOCC(C)OCc1ccccc1CN
InChIInChI=1S/C13H21NO2/c1-3-15-9-11(2)16-10-13-7-5-4-6-12(13)8-14/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyURDYXUGJKZWMKG-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine?
The IUPAC name of [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine (CID 103487025) is [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine is CCOCC(C)OCc1ccccc1CN.
What is the InChIKey of [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine?
The InChIKey is URDYXUGJKZWMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-15-9-11(2)16-10-13-7-5-4-6-12(13)8-14/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine?
[2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxypropan-2-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 103487025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).