2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine

C15H14Cl3NO — CID 115845008

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl3NO/c1-20-15-3-2-11(16)6-10(15)7-14(19)9-4-12(17)8-13(18)5-9/h2-6,8,14H,7,19H2,1H3
InChIKeyGQIQWFYRTBMREI-UHFFFAOYSA-N
MW330.64 g/mol
LogP4.90
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine

2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine (PubChem CID 115845008) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
PubChem CID115845008
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
SMILESCOc1ccc(Cl)cc1CC(N)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl3NO/c1-20-15-3-2-11(16)6-10(15)7-14(19)9-4-12(17)8-13(18)5-9/h2-6,8,14H,7,19H2,1H3
InChIKeyGQIQWFYRTBMREI-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.64
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 115817348
2-(5-chloro-2-methoxyphenyl)-1-pyrimidin-5-ylethanamine
CID 102923378
2-(5-chloro-2-methoxyphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 115844832
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
2-(5-chloro-2-methoxyphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115845037
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
1-(4-bromo-2-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 114905993
1-(5-chloro-2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63891932
2-(5-chloro-2-methoxyphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115845063
2-(5-chloro-2-methoxyphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105137374
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine (CID 115845008) is 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine is COc1ccc(Cl)cc1CC(N)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine?
The InChIKey is GQIQWFYRTBMREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-20-15-3-2-11(16)6-10(15)7-14(19)9-4-12(17)8-13(18)5-9/h2-6,8,14H,7,19H2,1H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine?
2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine has a molecular weight of 330.64 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(3,5-dichlorophenyl)ethanamine is sourced from PubChem (CID 115845008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).