[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine

C15H23NO2 — CID 114157332

IUPAC[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOCCC1CCC1
InChIInChI=1S/C15H23NO2/c16-12-14-6-1-2-7-15(14)18-11-10-17-9-8-13-4-3-5-13/h1-2,6-7,13H,3-5,8-12,16H2
InChIKeyBZDXKLPSPWMYPN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.73
Rot. Bonds8

About [2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine

[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine (PubChem CID 114157332) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is [2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
PubChem CID114157332
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOCCC1CCC1
InChIInChI=1S/C15H23NO2/c16-12-14-6-1-2-7-15(14)18-11-10-17-9-8-13-4-3-5-13/h1-2,6-7,13H,3-5,8-12,16H2
InChIKeyBZDXKLPSPWMYPN-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 ≤ 500249.35
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-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
CID 114157324
1-[2-(aminomethyl)phenoxy]-3-(2-cyclobutylethoxy)propan-2-ol
CID 106200329
1-[2-(aminomethyl)phenoxy]-3-(2-cyclopropylethoxy)propan-2-ol
CID 106200278
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine
CID 62383531
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
[4-(2-cyclobutylethoxy)-3-pyridinyl]methanamine
CID 106205679
2-[1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-3-yl]ethanol
CID 107227275
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
CID 54793715
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
[4-[3-(2-cyclobutylethoxy)propoxy]phenyl]methanamine
CID 106200284

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine (CID 114157332) is [2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine is NCc1ccccc1OCCOCCC1CCC1.
What is the InChIKey of [2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine?
The InChIKey is BZDXKLPSPWMYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c16-12-14-6-1-2-7-15(14)18-11-10-17-9-8-13-4-3-5-13/h1-2,6-7,13H,3-5,8-12,16H2.
What are the key properties of [2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine?
[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine has a molecular weight of 249.35 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-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 114157332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).