1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine

C15H15Cl2NO2 — CID 105140888

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
SMILESCOc1ccc(Cl)cc1C(N)COc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2NO2/c1-19-15-6-5-11(17)8-13(15)14(18)9-20-12-4-2-3-10(16)7-12/h2-8,14H,9,18H2,1H3
InChIKeyPOOARQJDSKBHMS-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.08
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine

1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine (PubChem CID 105140888) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
PubChem CID105140888
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
SMILESCOc1ccc(Cl)cc1C(N)COc1cccc(Cl)c1
InChIInChI=1S/C15H15Cl2NO2/c1-19-15-6-5-11(17)8-13(15)14(18)9-20-12-4-2-3-10(16)7-12/h2-8,14H,9,18H2,1H3
InChIKeyPOOARQJDSKBHMS-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)ethyl]hydrazine
CID 105300805
1-(4-chloro-3-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine
CID 105164447
1-(5-chloro-2-methoxyphenyl)-2-phenoxyethanol
CID 62790142
2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103435231
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)ethanamine
CID 105396960

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine (CID 105140888) is 1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine is COc1ccc(Cl)cc1C(N)COc1cccc(Cl)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine?
The InChIKey is POOARQJDSKBHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-19-15-6-5-11(17)8-13(15)14(18)9-20-12-4-2-3-10(16)7-12/h2-8,14H,9,18H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine?
1-(5-chloro-2-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-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethanamine is sourced from PubChem (CID 105140888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).