2-(4-butoxy-3-ethoxyphenyl)ethanamine

C14H23NO2 — CID 20982697

IUPAC2-(4-butoxy-3-ethoxyphenyl)ethanamine
SMILESCCCCOc1ccc(CCN)cc1OCC
InChIInChI=1S/C14H23NO2/c1-3-5-10-17-13-7-6-12(8-9-15)11-14(13)16-4-2/h6-7,11H,3-5,8-10,15H2,1-2H3
InChIKeyGFIXUCXXXAHZGF-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds8

About 2-(4-butoxy-3-ethoxyphenyl)ethanamine

2-(4-butoxy-3-ethoxyphenyl)ethanamine (PubChem CID 20982697) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(4-butoxy-3-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-butoxy-3-ethoxyphenyl)ethanamine
PubChem CID20982697
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(4-butoxy-3-ethoxyphenyl)ethanamine
SMILESCCCCOc1ccc(CCN)cc1OCC
InChIInChI=1S/C14H23NO2/c1-3-5-10-17-13-7-6-12(8-9-15)11-14(13)16-4-2/h6-7,11H,3-5,8-10,15H2,1-2H3
InChIKeyGFIXUCXXXAHZGF-UHFFFAOYSA-N
XLogP2.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
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

2-[3-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]phenyl]ethanamine
CID 22680716
2-[4-(3,3-dimethylbutoxy)-3-ethoxyphenyl]ethanamine
CID 61481236
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
2-[3-ethoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 20993016
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431
[4-(2-butoxyethoxy)-3-ethoxyphenyl]methanamine
CID 61483340
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578
1,2-diethoxy-4-propylbenzene
CID 3995471
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
CID 61485578
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
2-(4-but-2-ynoxy-3-ethoxyphenyl)ethanamine
CID 62311006

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxy-3-ethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-butoxy-3-ethoxyphenyl)ethanamine (CID 20982697) is 2-(4-butoxy-3-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-butoxy-3-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-butoxy-3-ethoxyphenyl)ethanamine is CCCCOc1ccc(CCN)cc1OCC.
What is the InChIKey of 2-(4-butoxy-3-ethoxyphenyl)ethanamine?
The InChIKey is GFIXUCXXXAHZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-10-17-13-7-6-12(8-9-15)11-14(13)16-4-2/h6-7,11H,3-5,8-10,15H2,1-2H3.
What are the key properties of 2-(4-butoxy-3-ethoxyphenyl)ethanamine?
2-(4-butoxy-3-ethoxyphenyl)ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxy-3-ethoxyphenyl)ethanamine is sourced from PubChem (CID 20982697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).