2-[2-(2-butoxyethoxy)phenyl]ethanamine

C14H23NO2 — CID 54956247

IUPAC2-[2-(2-butoxyethoxy)phenyl]ethanamine
SMILESCCCCOCCOc1ccccc1CCN
InChIInChI=1S/C14H23NO2/c1-2-3-10-16-11-12-17-14-7-5-4-6-13(14)8-9-15/h4-7H,2-3,8-12,15H2,1H3
InChIKeyVOELMLAZMPJOML-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds9

About 2-[2-(2-butoxyethoxy)phenyl]ethanamine

2-[2-(2-butoxyethoxy)phenyl]ethanamine (PubChem CID 54956247) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-[2-(2-butoxyethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-butoxyethoxy)phenyl]ethanamine
PubChem CID54956247
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-[2-(2-butoxyethoxy)phenyl]ethanamine
SMILESCCCCOCCOc1ccccc1CCN
InChIInChI=1S/C14H23NO2/c1-2-3-10-16-11-12-17-14-7-5-4-6-13(14)8-9-15/h4-7H,2-3,8-12,15H2,1H3
InChIKeyVOELMLAZMPJOML-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.38
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-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
4-[2-[2-(2-propylphenoxy)ethoxy]ethoxy]aniline
CID 67652170
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
2-[2-[2-[2-[2-[2-[2-[2-(2-octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20520040
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
3-[3-(2-ethylphenoxy)propoxy]propan-1-amine
CID 82353346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butoxyethoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-(2-butoxyethoxy)phenyl]ethanamine (CID 54956247) is 2-[2-(2-butoxyethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-butoxyethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-(2-butoxyethoxy)phenyl]ethanamine is CCCCOCCOc1ccccc1CCN.
What is the InChIKey of 2-[2-(2-butoxyethoxy)phenyl]ethanamine?
The InChIKey is VOELMLAZMPJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-10-16-11-12-17-14-7-5-4-6-13(14)8-9-15/h4-7H,2-3,8-12,15H2,1H3.
What are the key properties of 2-[2-(2-butoxyethoxy)phenyl]ethanamine?
2-[2-(2-butoxyethoxy)phenyl]ethanamine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butoxyethoxy)phenyl]ethanamine is sourced from PubChem (CID 54956247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).