1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine

C15H15Cl2NO2 — CID 105164447

IUPAC1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
SMILESCOc1cc(C(N)COc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H15Cl2NO2/c1-19-15-7-10(5-6-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8,14H,9,18H2,1H3
InChIKeyVHYYTUAYITVIQD-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.08
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine

1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine (PubChem CID 105164447) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
PubChem CID105164447
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
SMILESCOc1cc(C(N)COc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C15H15Cl2NO2/c1-19-15-7-10(5-6-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8,14H,9,18H2,1H3
InChIKeyVHYYTUAYITVIQD-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105140888
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 105144621
3-[1-amino-2-(3-chlorophenoxy)ethyl]phenol
CID 117242718
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
2-(3-chlorophenoxy)-1-quinolin-6-ylethanamine
CID 105172313
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103435231
[1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethyl]hydrazine
CID 105300805
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine (CID 105164447) is 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine is COc1cc(C(N)COc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine?
The InChIKey is VHYYTUAYITVIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-15-7-10(5-6-13(15)17)14(18)9-20-12-4-2-3-11(16)8-12/h2-8,14H,9,18H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine?
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine has a molecular weight of 312.20 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine is sourced from PubChem (CID 105164447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).