1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine

C16H27NO3 — CID 105141191

IUPAC1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(CCCOCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-5-17-14(8-7-11-20-6-2)13-9-10-15(18-3)16(12-13)19-4/h9-10,12,14,17H,5-8,11H2,1-4H3
InChIKeyILELAMXSXPMJLY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.17
Rot. Bonds10

About 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine

1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine (PubChem CID 105141191) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
PubChem CID105141191
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(CCCOCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-5-17-14(8-7-11-20-6-2)13-9-10-15(18-3)16(12-13)19-4/h9-10,12,14,17H,5-8,11H2,1-4H3
InChIKeyILELAMXSXPMJLY-UHFFFAOYSA-N
XLogP3.17
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.17
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-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methoxybutan-1-amine
CID 105054751
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
CID 61048531
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethoxypropan-1-amine
CID 43196211
1-(5-chloro-2-methoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105140924
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
1-(3-chloro-4-methoxyphenyl)-N-ethylpentan-1-amine
CID 43488519
1-(3,4-dimethoxyphenyl)-N-propylheptan-1-amine
CID 63414063
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
2-(3,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetonitrile
CID 84817434
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine (CID 105141191) is 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine is CCNC(CCCOCC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine?
The InChIKey is ILELAMXSXPMJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-5-17-14(8-7-11-20-6-2)13-9-10-15(18-3)16(12-13)19-4/h9-10,12,14,17H,5-8,11H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine?
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine is sourced from PubChem (CID 105141191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).