2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine

C15H14ClF2NO — CID 107515309

IUPAC2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COc2ccc(Cl)cc2)c(F)c1F
InChIInChI=1S/C15H14ClF2NO/c1-9-2-7-12(15(18)14(9)17)13(19)8-20-11-5-3-10(16)4-6-11/h2-7,13H,8,19H2,1H3
InChIKeySCIKSFJUUAFKFE-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine

2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine (PubChem CID 107515309) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
PubChem CID107515309
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COc2ccc(Cl)cc2)c(F)c1F
InChIInChI=1S/C15H14ClF2NO/c1-9-2-7-12(15(18)14(9)17)13(19)8-20-11-5-3-10(16)4-6-11/h2-7,13H,8,19H2,1H3
InChIKeySCIKSFJUUAFKFE-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)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

2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine
CID 106764386
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241
(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
CID 131057437
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392
1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
2-(4-chlorophenoxy)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 105121637
(1S)-1-(2,3-difluoro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131304116
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
2-(3-chlorophenoxy)-1-(2-methoxy-3,4-dimethylphenyl)ethanamine
CID 103435231

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine (CID 107515309) is 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine is Cc1ccc(C(N)COc2ccc(Cl)cc2)c(F)c1F.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine?
The InChIKey is SCIKSFJUUAFKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9-2-7-12(15(18)14(9)17)13(19)8-20-11-5-3-10(16)4-6-11/h2-7,13H,8,19H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine?
2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine has a molecular weight of 297.73 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 107515309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).