4-ethoxy-1-(4-methoxyphenyl)butan-1-amine

C13H21NO2 — CID 105095438

IUPAC4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
SMILESCCOCCCC(N)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-16-10-4-5-13(14)11-6-8-12(15-2)9-7-11/h6-9,13H,3-5,10,14H2,1-2H3
InChIKeyPTBRJKPANGIBED-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.51
Rot. Bonds7

About 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine

4-ethoxy-1-(4-methoxyphenyl)butan-1-amine (PubChem CID 105095438) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
PubChem CID105095438
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-ethoxy-1-(4-methoxyphenyl)butan-1-amine
SMILESCCOCCCC(N)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2/c1-3-16-10-4-5-13(14)11-6-8-12(15-2)9-7-11/h6-9,13H,3-5,10,14H2,1-2H3
InChIKeyPTBRJKPANGIBED-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.51
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-(4-methoxyphenyl)-2-(4-methylpentoxy)ethanamine
CID 43127754
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
3-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)propan-1-amine
CID 103148805
3-ethoxy-1-naphthalen-2-ylpropan-1-amine
CID 112688301
3-ethoxy-1-(4-methylphenyl)propan-1-amine
CID 115601658
4-ethoxy-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 107130391
1-(4-cyclopropyloxyphenyl)-4-methoxybutan-1-amine
CID 114519451
4-butoxy-1-phenylbutan-1-amine
CID 61483795
4-ethoxy-1-(2-methylquinolin-6-yl)butan-1-amine
CID 105172287
1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 57010651
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine?
The IUPAC name of 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine (CID 105095438) is 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine is CCOCCCC(N)c1ccc(OC)cc1.
What is the InChIKey of 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine?
The InChIKey is PTBRJKPANGIBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-16-10-4-5-13(14)11-6-8-12(15-2)9-7-11/h6-9,13H,3-5,10,14H2,1-2H3.
What are the key properties of 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine?
4-ethoxy-1-(4-methoxyphenyl)butan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 105095438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).