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

C15H15ClFNO — CID 102982281

IUPAC1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(F)cc1Oc1ccc(C(C)N)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-9-3-4-11(17)7-15(9)19-12-5-6-13(10(2)18)14(16)8-12/h3-8,10H,18H2,1-2H3
InChIKeyBTJRQGSLVCOQSF-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.60
Rot. Bonds3

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

1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine (PubChem CID 102982281) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
PubChem CID102982281
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine
SMILESCc1ccc(F)cc1Oc1ccc(C(C)N)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-9-3-4-11(17)7-15(9)19-12-5-6-13(10(2)18)14(16)8-12/h3-8,10H,18H2,1-2H3
InChIKeyBTJRQGSLVCOQSF-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine 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-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169559
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 102982237
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-[4-(4-bromo-3-methylphenoxy)-2-chlorophenyl]ethanamine
CID 83140873
1-[2-chloro-4-(2,4-dibromophenoxy)phenyl]ethanamine
CID 64719767
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(1S)-1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 83234046
(2S)-3-(5-fluoro-2-methylphenoxy)butan-2-amine
CID 102981073
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
CID 29275289

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine (CID 102982281) is 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine is Cc1ccc(F)cc1Oc1ccc(C(C)N)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine?
The InChIKey is BTJRQGSLVCOQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-9-3-4-11(17)7-15(9)19-12-5-6-13(10(2)18)14(16)8-12/h3-8,10H,18H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine?
1-[2-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]ethanamine has a molecular weight of 279.74 g/mol, XLogP of 4.60, 3 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]ethanamine is sourced from PubChem (CID 102982281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).