4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine

C16H27NO2 — CID 55210216

IUPAC4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
SMILESCCNCC(CCOCC)Cc1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-4-17-13-15(9-10-19-5-2)11-14-7-6-8-16(12-14)18-3/h6-8,12,15,17H,4-5,9-11,13H2,1-3H3
InChIKeyWSHRQXOBCGMMKA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.89
Rot. Bonds10

About 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine

4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine (PubChem CID 55210216) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
PubChem CID55210216
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
SMILESCCNCC(CCOCC)Cc1cccc(OC)c1
InChIInChI=1S/C16H27NO2/c1-4-17-13-15(9-10-19-5-2)11-14-7-6-8-16(12-14)18-3/h6-8,12,15,17H,4-5,9-11,13H2,1-3H3
InChIKeyWSHRQXOBCGMMKA-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.89
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

5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390
2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
4-ethoxy-2-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516101
5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 62514571
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
CID 83148145
N-ethyl-2-[(3-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456673
2-(ethoxymethyl)-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 103984333
4-ethoxy-N-methyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62514359

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine (CID 55210216) is 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine is CCNCC(CCOCC)Cc1cccc(OC)c1.
What is the InChIKey of 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
The InChIKey is WSHRQXOBCGMMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-17-13-15(9-10-19-5-2)11-14-7-6-8-16(12-14)18-3/h6-8,12,15,17H,4-5,9-11,13H2,1-3H3.
What are the key properties of 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine?
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 55210216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).