4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine

C18H31NO2 — CID 106682449

IUPAC4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C18H31NO2/c1-6-10-19-16(9-8-11-21-7-2)18-15(4)12-14(3)13-17(18)20-5/h12-13,16,19H,6-11H2,1-5H3
InChIKeyIFHUNOUGTAQYEO-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.17
Rot. Bonds10

About 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine

4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine (PubChem CID 106682449) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
PubChem CID106682449
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C18H31NO2/c1-6-10-19-16(9-8-11-21-7-2)18-15(4)12-14(3)13-17(18)20-5/h12-13,16,19H,6-11H2,1-5H3
InChIKeyIFHUNOUGTAQYEO-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.17
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

4-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106883923
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
CID 106682491
1-(3,4-dimethylphenyl)-4-ethoxy-N-propylbutan-1-amine
CID 105140388
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
CID 106680472
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N-[(2-methoxy-4,6-dimethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 106680685
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
N-[(2-methoxy-4,6-dimethylphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 106680815
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine (CID 106682449) is 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine is CCCNC(CCCOCC)c1c(C)cc(C)cc1OC.
What is the InChIKey of 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine?
The InChIKey is IFHUNOUGTAQYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-10-19-16(9-8-11-21-7-2)18-15(4)12-14(3)13-17(18)20-5/h12-13,16,19H,6-11H2,1-5H3.
What are the key properties of 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine?
4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 106682449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).