2-ethoxy-1-(2-propoxyphenyl)ethanamine

C13H21NO2 — CID 104660329

IUPAC2-ethoxy-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(N)COCC
InChIInChI=1S/C13H21NO2/c1-3-9-16-13-8-6-5-7-11(13)12(14)10-15-4-2/h5-8,12H,3-4,9-10,14H2,1-2H3
InChIKeyMATQFLCASXOZMX-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds7

About 2-ethoxy-1-(2-propoxyphenyl)ethanamine

2-ethoxy-1-(2-propoxyphenyl)ethanamine (PubChem CID 104660329) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-ethoxy-1-(2-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(2-propoxyphenyl)ethanamine
PubChem CID104660329
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-ethoxy-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(N)COCC
InChIInChI=1S/C13H21NO2/c1-3-9-16-13-8-6-5-7-11(13)12(14)10-15-4-2/h5-8,12H,3-4,9-10,14H2,1-2H3
InChIKeyMATQFLCASXOZMX-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyethoxy)phenyl]-2-propoxyethanamine
CID 104660008
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
1-(2-methoxyphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63686924
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
2-(cyclopropylmethoxy)-1-(2-ethoxyphenyl)ethanamine
CID 43211702
(1R)-1-[2-(2-propoxyethoxy)phenyl]ethanamine
CID 78948142

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-propoxyphenyl)ethanamine?
The IUPAC name of 2-ethoxy-1-(2-propoxyphenyl)ethanamine (CID 104660329) is 2-ethoxy-1-(2-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-ethoxy-1-(2-propoxyphenyl)ethanamine?
The canonical SMILES for 2-ethoxy-1-(2-propoxyphenyl)ethanamine is CCCOc1ccccc1C(N)COCC.
What is the InChIKey of 2-ethoxy-1-(2-propoxyphenyl)ethanamine?
The InChIKey is MATQFLCASXOZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-9-16-13-8-6-5-7-11(13)12(14)10-15-4-2/h5-8,12H,3-4,9-10,14H2,1-2H3.
What are the key properties of 2-ethoxy-1-(2-propoxyphenyl)ethanamine?
2-ethoxy-1-(2-propoxyphenyl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-propoxyphenyl)ethanamine is sourced from PubChem (CID 104660329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).