[2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine

C18H23NO2 — CID 20989180

IUPAC[2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(C)c(OCCOc2ccccc2CN)c1C
InChIInChI=1S/C18H23NO2/c1-13-8-9-14(2)18(15(13)3)21-11-10-20-17-7-5-4-6-16(17)12-19/h4-9H,10-12,19H2,1-3H3
InChIKeyHYDQFFGSWSOJSZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.53
Rot. Bonds6

About [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine

[2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine (PubChem CID 20989180) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
PubChem CID20989180
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
SMILESCc1ccc(C)c(OCCOc2ccccc2CN)c1C
InChIInChI=1S/C18H23NO2/c1-13-8-9-14(2)18(15(13)3)21-11-10-20-17-7-5-4-6-16(17)12-19/h4-9H,10-12,19H2,1-3H3
InChIKeyHYDQFFGSWSOJSZ-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.53
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

[5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
CID 20994270
2-[2-(2,3,6-trimethylphenoxy)ethoxy]benzaldehyde
CID 20989910
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-[2-(2,4,6-trichlorophenoxy)ethoxy]phenyl]methanamine
CID 22683172
[2-[2-(2-tert-butylphenoxy)ethoxy]phenyl]methanamine
CID 20991684
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
[4-methoxy-3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
CID 20987904
2-[2-(aminomethyl)phenoxy]ethanol;hydrochloride
CID 67183570
(2-pent-3-ynoxyphenyl)methanamine
CID 104804318
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
2-[2-(2,3,6-trimethylphenoxy)ethoxy]naphthalene-1-carbothioamide
CID 22681366
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine (CID 20989180) is [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine is Cc1ccc(C)c(OCCOc2ccccc2CN)c1C.
What is the InChIKey of [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine?
The InChIKey is HYDQFFGSWSOJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-8-9-14(2)18(15(13)3)21-11-10-20-17-7-5-4-6-16(17)12-19/h4-9H,10-12,19H2,1-3H3.
What are the key properties of [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine?
[2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 20989180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).