[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine

C15H15Cl2NO2 — CID 106786294

IUPAC[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(COc2cc(Cl)cc(Cl)c2)ccc1CN
InChIInChI=1S/C15H15Cl2NO2/c1-19-15-4-10(2-3-11(15)8-18)9-20-14-6-12(16)5-13(17)7-14/h2-7H,8-9,18H2,1H3
InChIKeyZEDPHDIZUJIONS-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.04
Rot. Bonds5

About [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine

[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine (PubChem CID 106786294) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
PubChem CID106786294
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(COc2cc(Cl)cc(Cl)c2)ccc1CN
InChIInChI=1S/C15H15Cl2NO2/c1-19-15-4-10(2-3-11(15)8-18)9-20-14-6-12(16)5-13(17)7-14/h2-7H,8-9,18H2,1H3
InChIKeyZEDPHDIZUJIONS-UHFFFAOYSA-N
XLogP4.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
4-[(3,5-dichlorophenoxy)methyl]-2-methoxybenzenecarbothioamide
CID 106789156
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 106786198
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine (CID 106786294) is [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine is COc1cc(COc2cc(Cl)cc(Cl)c2)ccc1CN.
What is the InChIKey of [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine?
The InChIKey is ZEDPHDIZUJIONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-15-4-10(2-3-11(15)8-18)9-20-14-6-12(16)5-13(17)7-14/h2-7H,8-9,18H2,1H3.
What are the key properties of [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine?
[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine has a molecular weight of 312.20 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106786294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).