1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine

C18H31NO2 — CID 43127460

IUPAC1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCC(N)c1ccccc1OCC
InChIInChI=1S/C18H31NO2/c1-4-6-7-8-11-15(3)21-14-17(19)16-12-9-10-13-18(16)20-5-2/h9-10,12-13,15,17H,4-8,11,14,19H2,1-3H3
InChIKeyGBMJUHYIGUTOFF-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.46
Rot. Bonds11

About 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine

1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine (PubChem CID 43127460) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine
PubChem CID43127460
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCC(N)c1ccccc1OCC
InChIInChI=1S/C18H31NO2/c1-4-6-7-8-11-15(3)21-14-17(19)16-12-9-10-13-18(16)20-5-2/h9-10,12-13,15,17H,4-8,11,14,19H2,1-3H3
InChIKeyGBMJUHYIGUTOFF-UHFFFAOYSA-N
XLogP4.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-octan-2-yloxyphenyl)propan-1-amine
CID 112678434
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
(1R)-1-(2-octan-2-yloxyphenyl)ethanamine
CID 78937923
2-octan-2-yloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 43127437
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-[2-(2-ethylhexoxy)phenyl]propan-1-amine
CID 78944050
(1S)-1-(2-heptoxyphenyl)ethanamine
CID 78936557
(1S)-1-(2-octoxyphenyl)ethanamine
CID 78944069
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine (CID 43127460) is 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine is CCCCCCC(C)OCC(N)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine?
The InChIKey is GBMJUHYIGUTOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-6-7-8-11-15(3)21-14-17(19)16-12-9-10-13-18(16)20-5-2/h9-10,12-13,15,17H,4-8,11,14,19H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine?
1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine has a molecular weight of 293.45 g/mol, XLogP of 4.46, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-octan-2-yloxyethanamine is sourced from PubChem (CID 43127460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).