1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine

C16H28N2O2 — CID 81058535

IUPAC1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
SMILESCCOCCN(C)Cc1cc(C(C)N)ccc1OCC
InChIInChI=1S/C16H28N2O2/c1-5-19-10-9-18(4)12-15-11-14(13(3)17)7-8-16(15)20-6-2/h7-8,11,13H,5-6,9-10,12,17H2,1-4H3
InChIKeyBHOAMBHXWBKNRB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.57
Rot. Bonds9

About 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine

1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine (PubChem CID 81058535) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
PubChem CID81058535
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
SMILESCCOCCN(C)Cc1cc(C(C)N)ccc1OCC
InChIInChI=1S/C16H28N2O2/c1-5-19-10-9-18(4)12-15-11-14(13(3)17)7-8-16(15)20-6-2/h7-8,11,13H,5-6,9-10,12,17H2,1-4H3
InChIKeyBHOAMBHXWBKNRB-UHFFFAOYSA-N
XLogP2.57
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
CID 60861720
1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine
CID 81036797
1-[4-ethoxy-3-(2-methylbutylsulfonylmethyl)phenyl]ethanamine
CID 107759746
1-[3-(2-cyclopropylethoxymethyl)-4-ethoxyphenyl]ethanamine
CID 106200766
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[4-ethoxy-3-(2-methylpentoxymethyl)phenyl]ethanamine
CID 103283395
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
(1R)-1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 78937706
4-[(1S)-1-aminoethyl]-2-bromo-N-(2-ethoxyethyl)-N-methylaniline
CID 81055137
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[3-(butylsulfinylmethyl)-4-ethoxyphenyl]ethanamine
CID 64656167
2-[4-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]propan-1-amine
CID 105348027

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine?
The IUPAC name of 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine (CID 81058535) is 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine.
What is the SMILES notation for 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine?
The canonical SMILES for 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine is CCOCCN(C)Cc1cc(C(C)N)ccc1OCC.
What is the InChIKey of 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine?
The InChIKey is BHOAMBHXWBKNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-19-10-9-18(4)12-15-11-14(13(3)17)7-8-16(15)20-6-2/h7-8,11,13H,5-6,9-10,12,17H2,1-4H3.
What are the key properties of 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine?
1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine has a molecular weight of 280.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 81058535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).