2-(2-butoxyethoxy)-1-phenylbutan-1-amine

C16H27NO2 — CID 43127531

IUPAC2-(2-butoxyethoxy)-1-phenylbutan-1-amine
SMILESCCCCOCCOC(CC)C(N)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-5-11-18-12-13-19-15(4-2)16(17)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,17H2,1-2H3
InChIKeyHHQACGGYBNLDDY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.30
Rot. Bonds10

About 2-(2-butoxyethoxy)-1-phenylbutan-1-amine

2-(2-butoxyethoxy)-1-phenylbutan-1-amine (PubChem CID 43127531) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-1-phenylbutan-1-amine
PubChem CID43127531
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(2-butoxyethoxy)-1-phenylbutan-1-amine
SMILESCCCCOCCOC(CC)C(N)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-5-11-18-12-13-19-15(4-2)16(17)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,17H2,1-2H3
InChIKeyHHQACGGYBNLDDY-UHFFFAOYSA-N
XLogP3.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.30
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-phenyl-2-(2-propan-2-yloxyethoxy)butan-1-amine
CID 43211618
2-butoxyethyl (2R)-2-amino-2-phenylacetate
CID 61302671
2-(2-cyclobutylethoxy)-1-phenylbutan-1-amine
CID 106201059
4-butoxy-1-phenylbutan-1-amine
CID 61483795
2-phenoxy-1-phenylbutan-1-amine
CID 43211594
2-methoxy-1-phenylbutan-1-amine
CID 43211581
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
2-pentoxy-1-phenylethanamine
CID 43275081
4-butoxy-2-phenylbutan-1-amine
CID 65429103
2-[2-(3-methoxypropoxy)ethoxy]-N-methyl-1-phenylbutan-1-amine
CID 103177181
3-[4-[amino(phenyl)methyl]pentadecoxy]propan-1-ol
CID 57017065
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-1-phenylbutan-1-amine?
The IUPAC name of 2-(2-butoxyethoxy)-1-phenylbutan-1-amine (CID 43127531) is 2-(2-butoxyethoxy)-1-phenylbutan-1-amine.
What is the SMILES notation for 2-(2-butoxyethoxy)-1-phenylbutan-1-amine?
The canonical SMILES for 2-(2-butoxyethoxy)-1-phenylbutan-1-amine is CCCCOCCOC(CC)C(N)c1ccccc1.
What is the InChIKey of 2-(2-butoxyethoxy)-1-phenylbutan-1-amine?
The InChIKey is HHQACGGYBNLDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-5-11-18-12-13-19-15(4-2)16(17)14-9-7-6-8-10-14/h6-10,15-16H,3-5,11-13,17H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)-1-phenylbutan-1-amine?
2-(2-butoxyethoxy)-1-phenylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-1-phenylbutan-1-amine is sourced from PubChem (CID 43127531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).