2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine

C15H25NO2 — CID 28749749

IUPAC2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
SMILESCCC(C)(C)c1ccc(OCCOCCN)cc1
InChIInChI=1S/C15H25NO2/c1-4-15(2,3)13-5-7-14(8-6-13)18-12-11-17-10-9-16/h5-8H,4,9-12,16H2,1-3H3
InChIKeyTYIASZWYAOYXAR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds8

About 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine

2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine (PubChem CID 28749749) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
PubChem CID28749749
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine
SMILESCCC(C)(C)c1ccc(OCCOCCN)cc1
InChIInChI=1S/C15H25NO2/c1-4-15(2,3)13-5-7-14(8-6-13)18-12-11-17-10-9-16/h5-8H,4,9-12,16H2,1-3H3
InChIKeyTYIASZWYAOYXAR-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
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-[2-[2-[2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 71322665
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 71104188
4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzonitrile
CID 20986224
2-methyl-1-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]propan-2-amine;hydrochloride
CID 173054273
3-(aminomethyl)-6-[4-(2-methylbutan-2-yl)phenoxy]hexan-3-ol
CID 106811541
1-(6-bromohexoxy)-4-(2-methylbutan-2-yl)benzene
CID 154085988
1,3,5-tris[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]benzene
CID 139243319
[4-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 20985841
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
1-[4-(2-methylbutan-2-yl)phenoxy]propan-2-amine
CID 16786972
dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium
CID 2182202

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine (CID 28749749) is 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine is CCC(C)(C)c1ccc(OCCOCCN)cc1.
What is the InChIKey of 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine?
The InChIKey is TYIASZWYAOYXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-15(2,3)13-5-7-14(8-6-13)18-12-11-17-10-9-16/h5-8H,4,9-12,16H2,1-3H3.
What are the key properties of 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine?
2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]ethanamine is sourced from PubChem (CID 28749749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).