1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine

C15H14Cl3NO — CID 107309207

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
SMILESCOc1cc(Cl)ccc1C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl3NO/c1-20-14-8-10(16)5-6-11(14)13(19)7-9-3-2-4-12(17)15(9)18/h2-6,8,13H,7,19H2,1H3
InChIKeyZKPQWLFQTGQNRJ-UHFFFAOYSA-N
MW330.64 g/mol
LogP4.90
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine

1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine (PubChem CID 107309207) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
PubChem CID107309207
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
SMILESCOc1cc(Cl)ccc1C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl3NO/c1-20-14-8-10(16)5-6-11(14)13(19)7-9-3-2-4-12(17)15(9)18/h2-6,8,13H,7,19H2,1H3
InChIKeyZKPQWLFQTGQNRJ-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

[1-(5-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethyl]hydrazine
CID 107312860
2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791439
1-(4-chloro-2-methoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105024725
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
1-(4-bromo-2-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 115369401
1-(4-bromo-2-methoxyphenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 115840317
2-(1-benzothiophen-3-yl)-1-(4-chloro-2-methoxyphenyl)ethanamine
CID 115824040
1-(4-chloro-2-methoxyphenyl)-2-methoxyethanamine
CID 112693324
3-(2,3-dichlorophenyl)-2-(2,4-dimethoxyphenyl)propan-1-amine
CID 83973145
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
2-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318
2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148612

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine (CID 107309207) is 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine is COc1cc(Cl)ccc1C(N)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine?
The InChIKey is ZKPQWLFQTGQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-20-14-8-10(16)5-6-11(14)13(19)7-9-3-2-4-12(17)15(9)18/h2-6,8,13H,7,19H2,1H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine?
1-(4-chloro-2-methoxyphenyl)-2-(2,3-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 1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine is sourced from PubChem (CID 107309207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).