[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine

C15H23NO3 — CID 62383531

IUPAC[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOCC1CCOCC1
InChIInChI=1S/C15H23NO3/c16-11-14-3-1-2-4-15(14)19-10-9-18-12-13-5-7-17-8-6-13/h1-4,13H,5-12,16H2
InChIKeyWAIVTTLEZSHXQK-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds7

About [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine

[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine (PubChem CID 62383531) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine
PubChem CID62383531
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine
SMILESNCc1ccccc1OCCOCC1CCOCC1
InChIInChI=1S/C15H23NO3/c16-11-14-3-1-2-4-15(14)19-10-9-18-12-13-5-7-17-8-6-13/h1-4,13H,5-12,16H2
InChIKeyWAIVTTLEZSHXQK-UHFFFAOYSA-N
XLogP1.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(oxan-4-ylmethoxymethyl)phenyl]methanamine
CID 62382964
[2-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methanamine
CID 114157332
N-[3-[2-(aminomethyl)phenoxy]propyl]-N-methyloxan-4-amine
CID 43610827
2-[2-(cyclopropylmethoxy)ethoxy]aniline
CID 43366102
N-[[2-[2-(oxolan-3-ylmethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62484361
4-[[2-(bromomethyl)phenoxy]methyl]oxane
CID 62387338
[2-[3-(2-cyclopropylethoxy)propoxy]phenyl]methanamine
CID 114157324
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
(1S)-1-[2-(oxan-4-ylmethoxy)phenyl]propan-1-amine
CID 78932889
4-[2-(oxan-4-ylmethoxy)ethoxy]benzenecarbothioamide
CID 62381887
N-methyl-1-[2-[2-(oxan-4-yloxy)ethoxy]phenyl]methanamine
CID 62440897
[2-(oxan-4-ylmethoxy)naphthalen-1-yl]methanamine
CID 62386750

Frequently Asked Questions

What is the IUPAC name of [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine (CID 62383531) is [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine is NCc1ccccc1OCCOCC1CCOCC1.
What is the InChIKey of [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine?
The InChIKey is WAIVTTLEZSHXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c16-11-14-3-1-2-4-15(14)19-10-9-18-12-13-5-7-17-8-6-13/h1-4,13H,5-12,16H2.
What are the key properties of [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine?
[2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine has a molecular weight of 265.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(oxan-4-ylmethoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 62383531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).