1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine

C17H19ClFNO — CID 102982237

IUPAC1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cc(F)ccc2C)cc1Cl
InChIInChI=1S/C17H19ClFNO/c1-4-20-12(3)15-8-7-14(10-16(15)18)21-17-9-13(19)6-5-11(17)2/h5-10,12,20H,4H2,1-3H3
InChIKeyMIZHEGLUMUZVLC-UHFFFAOYSA-N
MW307.80 g/mol
LogP5.25
Rot. Bonds5

About 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine

1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine (PubChem CID 102982237) has the molecular formula C17H19ClFNO and a molecular weight of 307.80 g/mol. Its IUPAC name is 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
PubChem CID102982237
Molecular FormulaC17H19ClFNO
Molecular Weight307.80 g/mol
Exact Mass307.11
IUPAC Name1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(Oc2cc(F)ccc2C)cc1Cl
InChIInChI=1S/C17H19ClFNO/c1-4-20-12(3)15-8-7-14(10-16(15)18)21-17-9-13(19)6-5-11(17)2/h5-10,12,20H,4H2,1-3H3
InChIKeyMIZHEGLUMUZVLC-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.80
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)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-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
CID 102982281
1-[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982259
1-[4-bromo-2-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982300
N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
CID 102982283
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]-N-ethylethanamine
CID 64721082
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
CID 82783028
1-[2-chloro-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]-N-ethylethanamine
CID 106597433
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
1-[4-bromo-2-(3,4-dichlorophenoxy)phenyl]-N-ethylethanamine
CID 82956082
1-[2-(2-chloro-4-fluorophenoxy)phenyl]-N-ethylethanamine
CID 63532134
1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine (CID 102982237) is 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine is CCNC(C)c1ccc(Oc2cc(F)ccc2C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine?
The InChIKey is MIZHEGLUMUZVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFNO/c1-4-20-12(3)15-8-7-14(10-16(15)18)21-17-9-13(19)6-5-11(17)2/h5-10,12,20H,4H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine?
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine has a molecular weight of 307.80 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine is sourced from PubChem (CID 102982237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).