[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine

C16H19NO2 — CID 106786180

IUPAC[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(COc2ccccc2C)ccc1CN
InChIInChI=1S/C16H19NO2/c1-12-5-3-4-6-15(12)19-11-13-7-8-14(10-17)16(9-13)18-2/h3-9H,10-11,17H2,1-2H3
InChIKeyFZBODXAQHBLYCB-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.04
Rot. Bonds5

About [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine

[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine (PubChem CID 106786180) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
PubChem CID106786180
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
SMILESCOc1cc(COc2ccccc2C)ccc1CN
InChIInChI=1S/C16H19NO2/c1-12-5-3-4-6-15(12)19-11-13-7-8-14(10-17)16(9-13)18-2/h3-9H,10-11,17H2,1-2H3
InChIKeyFZBODXAQHBLYCB-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786294
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 106786393
[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine
CID 106786215

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine (CID 106786180) is [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine is COc1cc(COc2ccccc2C)ccc1CN.
What is the InChIKey of [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine?
The InChIKey is FZBODXAQHBLYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-5-3-4-6-15(12)19-11-13-7-8-14(10-17)16(9-13)18-2/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine?
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine has a molecular weight of 257.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 106786180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).