2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine

C16H17Cl2NO — CID 105076148

IUPAC2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNC(COc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-16(12-6-8-13(17)9-7-12)11-20-15-5-3-4-14(18)10-15/h3-10,16,19H,2,11H2,1H3
InChIKeyWYCCMYLOFZELTQ-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.72
Rot. Bonds6

About 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine

2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine (PubChem CID 105076148) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
PubChem CID105076148
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNC(COc1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-16(12-6-8-13(17)9-7-12)11-20-15-5-3-4-14(18)10-15/h3-10,16,19H,2,11H2,1H3
InChIKeyWYCCMYLOFZELTQ-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105102021
N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
CID 63416220
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
2-ethoxy-1-(3-ethoxyphenyl)-N-ethylethanamine
CID 79574698
1-(3-chlorophenoxy)-N-ethylnonan-2-amine
CID 105124587
1-(3-chlorophenoxy)-N-ethyl-6-methylheptan-2-amine
CID 105176967
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenoxy)-N-ethylethanamine
CID 106648061
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285575
N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 107168988

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine (CID 105076148) is 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine is CCNC(COc1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine?
The InChIKey is WYCCMYLOFZELTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-19-16(12-6-8-13(17)9-7-12)11-20-15-5-3-4-14(18)10-15/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine?
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105076148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).