2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine

C17H29NO2 — CID 43127522

IUPAC2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
SMILESCCCCOCCOCC(N)c1ccc(CCC)cc1
InChIInChI=1S/C17H29NO2/c1-3-5-11-19-12-13-20-14-17(18)16-9-7-15(6-4-2)8-10-16/h7-10,17H,3-6,11-14,18H2,1-2H3
InChIKeyZDIBCWGOBWFIPP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.47
Rot. Bonds11

About 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine

2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine (PubChem CID 43127522) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
PubChem CID43127522
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine
SMILESCCCCOCCOCC(N)c1ccc(CCC)cc1
InChIInChI=1S/C17H29NO2/c1-3-5-11-19-12-13-20-14-17(18)16-9-7-15(6-4-2)8-10-16/h7-10,17H,3-6,11-14,18H2,1-2H3
InChIKeyZDIBCWGOBWFIPP-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.47
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-heptoxy-1-(4-propylphenyl)ethanamine
CID 43127468
3-propoxy-1-(4-propylphenyl)propan-1-amine
CID 105144351
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
CID 43094130
2-(2-butoxyethoxy)-1-(3,4-dimethoxyphenyl)ethanamine
CID 43127540
2-heptoxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43127517
2-pentoxy-1-phenylethanamine
CID 43275081
1-[4-(aminomethyl)phenyl]-2-(2-butoxyethoxy)ethanol
CID 43531596
2-cyclobutyloxy-1-(4-propylphenyl)ethanamine
CID 62139683
1-(4-ethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43183735
N-ethyl-2-hexoxy-1-(4-propylphenyl)ethanamine
CID 63475832
2-[4-(2-butoxyethoxymethyl)phenyl]propan-1-amine
CID 105349646

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine?
The IUPAC name of 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine (CID 43127522) is 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine is CCCCOCCOCC(N)c1ccc(CCC)cc1.
What is the InChIKey of 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine?
The InChIKey is ZDIBCWGOBWFIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-3-5-11-19-12-13-20-14-17(18)16-9-7-15(6-4-2)8-10-16/h7-10,17H,3-6,11-14,18H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine?
2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 43127522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).