1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine

C16H17Cl2NO — CID 79170877

IUPAC1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-3-19-11(2)12-5-4-6-14(9-12)20-16-10-13(17)7-8-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyYYDWRBLTVCCBOU-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.46
Rot. Bonds5

About 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine

1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine (PubChem CID 79170877) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
PubChem CID79170877
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(Oc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H17Cl2NO/c1-3-19-11(2)12-5-4-6-14(9-12)20-16-10-13(17)7-8-15(16)18/h4-11,19H,3H2,1-2H3
InChIKeyYYDWRBLTVCCBOU-UHFFFAOYSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-bromo-4-chlorophenoxy)phenyl]-N-ethylethanamine
CID 79167858
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388
N-ethyl-1-[3-(2-iodophenoxy)phenyl]ethanamine
CID 79167101
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285575
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
1-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 60881758
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 63533910
N-ethyl-1-[3-(2,3,6-trimethylphenoxy)phenyl]ethanamine
CID 79166452
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
CID 61033591
N-[1-[3-(4-bromo-2-chlorophenoxy)phenyl]ethyl]propan-1-amine
CID 79166444
(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 994885

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine (CID 79170877) is 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(Oc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine?
The InChIKey is YYDWRBLTVCCBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-3-19-11(2)12-5-4-6-14(9-12)20-16-10-13(17)7-8-15(16)18/h4-11,19H,3H2,1-2H3.
What are the key properties of 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine?
1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine has a molecular weight of 310.22 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dichlorophenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 79170877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).