1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine

C16H17Cl2NO — CID 63416220

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
SMILESCCNC(COc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-16(11-20-13-6-4-3-5-7-13)12-8-9-14(17)15(18)10-12/h3-10,16,19H,2,11H2,1H3
InChIKeyQPQNUAHLYJSTQU-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.72
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine

1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine (PubChem CID 63416220) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
PubChem CID63416220
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine
SMILESCCNC(COc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-2-19-16(11-20-13-6-4-3-5-7-13)12-8-9-14(17)15(18)10-12/h3-10,16,19H,2,11H2,1H3
InChIKeyQPQNUAHLYJSTQU-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

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
N-[1-(4-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416707
[2-(4-chlorophenoxy)-1-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105281305
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
N-[1-(3,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416441
2-(2-bromophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-ethylethanamine
CID 66143696
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
1-(3,4-dichlorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446099
1-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 106762446
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
CID 63473815
2-(3-chlorophenoxy)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105102021

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine (CID 63416220) is 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine is CCNC(COc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine?
The InChIKey is QPQNUAHLYJSTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-19-16(11-20-13-6-4-3-5-7-13)12-8-9-14(17)15(18)10-12/h3-10,16,19H,2,11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine?
1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine 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 1-(3,4-dichlorophenyl)-N-ethyl-2-phenoxyethanamine is sourced from PubChem (CID 63416220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).