[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine

C15H14Cl3NO2 — CID 20986328

IUPAC[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO2/c1-20-14-5-9(7-19)4-13(18)15(14)21-8-10-2-3-11(16)6-12(10)17/h2-6H,7-8,19H2,1H3
InChIKeyJVYKZBDMTVCDKL-UHFFFAOYSA-N
MW346.64 g/mol
LogP4.69
Rot. Bonds5

About [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine

[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 20986328) has the molecular formula C15H14Cl3NO2 and a molecular weight of 346.64 g/mol. Its IUPAC name is [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID20986328
Molecular FormulaC15H14Cl3NO2
Molecular Weight346.64 g/mol
Exact Mass345.01
IUPAC Name[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1cc(CN)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl3NO2/c1-20-14-5-9(7-19)4-13(18)15(14)21-8-10-2-3-11(16)6-12(10)17/h2-6H,7-8,19H2,1H3
InChIKeyJVYKZBDMTVCDKL-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

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Related Compounds

[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 114847764
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209702
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288941
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332495
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 4721628
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208110
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720885
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17291021
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207288
2-[3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214160
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 4727623
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine (CID 20986328) is [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine is COc1cc(CN)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is JVYKZBDMTVCDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO2/c1-20-14-5-9(7-19)4-13(18)15(14)21-8-10-2-3-11(16)6-12(10)17/h2-6H,7-8,19H2,1H3.
What are the key properties of [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine?
[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]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 [3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 20986328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).