[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine

C15H14Cl3NO2 — CID 65338310

IUPAC[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
SMILESCOc1ccc(COc2cc(Cl)c(Cl)cc2Cl)cc1CN
InChIInChI=1S/C15H14Cl3NO2/c1-20-14-3-2-9(4-10(14)7-19)8-21-15-6-12(17)11(16)5-13(15)18/h2-6H,7-8,19H2,1H3
InChIKeyWXCCGDWUEKHGCA-UHFFFAOYSA-N
MW346.64 g/mol
LogP4.69
Rot. Bonds5

About [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine

[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine (PubChem CID 65338310) has the molecular formula C15H14Cl3NO2 and a molecular weight of 346.64 g/mol. Its IUPAC name is [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
PubChem CID65338310
Molecular FormulaC15H14Cl3NO2
Molecular Weight346.64 g/mol
Exact Mass345.01
IUPAC Name[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
SMILESCOc1ccc(COc2cc(Cl)c(Cl)cc2Cl)cc1CN
InChIInChI=1S/C15H14Cl3NO2/c1-20-14-3-2-9(4-10(14)7-19)8-21-15-6-12(17)11(16)5-13(15)18/h2-6H,7-8,19H2,1H3
InChIKeyWXCCGDWUEKHGCA-UHFFFAOYSA-N
XLogP4.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.64
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 65338686
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
2-methoxy-4-[(2,4,5-trichlorophenoxy)methyl]benzonitrile
CID 106788537
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
5-[[4-(aminomethyl)-2-chlorophenoxy]methyl]-2-methoxybenzonitrile
CID 65338380
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
2-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82133516
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 65338351
[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951940

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine (CID 65338310) is [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine is COc1ccc(COc2cc(Cl)c(Cl)cc2Cl)cc1CN.
What is the InChIKey of [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine?
The InChIKey is WXCCGDWUEKHGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2/c1-20-14-3-2-9(4-10(14)7-19)8-21-15-6-12(17)11(16)5-13(15)18/h2-6H,7-8,19H2,1H3.
What are the key properties of [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine?
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine has a molecular weight of 346.64 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 65338310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).