[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine

C16H19NO2 — CID 107926521

IUPAC[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
SMILESCOCc1cccc(Oc2ccc(C)cc2CN)c1
InChIInChI=1S/C16H19NO2/c1-12-6-7-16(14(8-12)10-17)19-15-5-3-4-13(9-15)11-18-2/h3-9H,10-11,17H2,1-2H3
InChIKeyWSTSLLXKLMJKNV-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.39
Rot. Bonds5

About [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine

[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine (PubChem CID 107926521) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
PubChem CID107926521
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
SMILESCOCc1cccc(Oc2ccc(C)cc2CN)c1
InChIInChI=1S/C16H19NO2/c1-12-6-7-16(14(8-12)10-17)19-15-5-3-4-13(9-15)11-18-2/h3-9H,10-11,17H2,1-2H3
InChIKeyWSTSLLXKLMJKNV-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
[3-[3-(methoxymethyl)phenoxy]pyridazin-4-yl]methanamine
CID 80508065
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
[2-(3,5-difluorophenoxy)-5-methylphenyl]methanamine
CID 107926515
[2-(3-methylphenoxy)-5-(trifluoromethyl)phenyl]methanamine
CID 43331214
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
2-[3-(methoxymethyl)phenoxy]-5-methylpyridine
CID 123576631
[6-[3-(methoxymethyl)phenoxy]-5-methyl-3-pyridinyl]methanamine
CID 80633528
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
[3-(methoxymethyl)phenyl]methanamine
CID 16787292
(1R)-1-[2-[3-(methoxymethyl)phenoxy]phenyl]ethanamine
CID 63986581
2-[3-(methoxymethyl)phenoxy]-5-(trifluoromethyl)aniline
CID 63986344

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine?
The IUPAC name of [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine (CID 107926521) is [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine.
What is the SMILES notation for [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine?
The canonical SMILES for [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine is COCc1cccc(Oc2ccc(C)cc2CN)c1.
What is the InChIKey of [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine?
The InChIKey is WSTSLLXKLMJKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-6-7-16(14(8-12)10-17)19-15-5-3-4-13(9-15)11-18-2/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine?
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine is sourced from PubChem (CID 107926521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).