[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine

C22H25NO2 — CID 20984389

IUPAC[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine
SMILESCc1cc(C)c(C)c(OCCOc2ccc3ccccc3c2CN)c1
InChIInChI=1S/C22H25NO2/c1-15-12-16(2)17(3)22(13-15)25-11-10-24-21-9-8-18-6-4-5-7-19(18)20(21)14-23/h4-9,12-13H,10-11,14,23H2,1-3H3
InChIKeyQGHNKZLYLXUUJS-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.68
Rot. Bonds6

About [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine

[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine (PubChem CID 20984389) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine.

Molecular Properties

Compound Name[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine
PubChem CID20984389
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine
SMILESCc1cc(C)c(C)c(OCCOc2ccc3ccccc3c2CN)c1
InChIInChI=1S/C22H25NO2/c1-15-12-16(2)17(3)22(13-15)25-11-10-24-21-9-8-18-6-4-5-7-19(18)20(21)14-23/h4-9,12-13H,10-11,14,23H2,1-3H3
InChIKeyQGHNKZLYLXUUJS-UHFFFAOYSA-N
XLogP4.68
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.68
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-(2,3,5-trimethylphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 22681976
[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]methanamine
CID 20985427
1-[1-(aminomethyl)naphthalen-2-yl]oxypropan-2-ol
CID 60888861
[2-(ethoxymethoxy)naphthalen-1-yl]methanamine
CID 65369670
[2-(2-methylpentoxy)naphthalen-1-yl]methanamine
CID 62266046
3-(2-butoxynaphthalen-1-yl)propan-1-amine
CID 170867884
3-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]naphthalen-1-yl]propanoic acid
CID 22683302
2-[2-(2,5-dimethylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 20990513
2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]naphthalen-1-yl]ethanamine
CID 115943256
3-[1-(aminomethyl)naphthalen-2-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 63901440
2-[2-(2-propoxyethoxy)naphthalen-1-yl]ethanamine
CID 106455544
1-ethyl-2-propoxynaphthalene
CID 129259410

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine?
The IUPAC name of [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine (CID 20984389) is [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine.
What is the SMILES notation for [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine?
The canonical SMILES for [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine is Cc1cc(C)c(C)c(OCCOc2ccc3ccccc3c2CN)c1.
What is the InChIKey of [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine?
The InChIKey is QGHNKZLYLXUUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-15-12-16(2)17(3)22(13-15)25-11-10-24-21-9-8-18-6-4-5-7-19(18)20(21)14-23/h4-9,12-13H,10-11,14,23H2,1-3H3.
What are the key properties of [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine?
[2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine has a molecular weight of 335.45 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,3,5-trimethylphenoxy)ethoxy]naphthalen-1-yl]methanamine is sourced from PubChem (CID 20984389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).