N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine

C15H14ClF2NO — CID 114855205

IUPACN-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-2-19-9-10-3-4-11(16)7-15(10)20-14-6-5-12(17)8-13(14)18/h3-8,19H,2,9H2,1H3
InChIKeyHQTIICFRBYJDQH-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.52
Rot. Bonds5

About N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine

N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine (PubChem CID 114855205) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
PubChem CID114855205
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC NameN-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H14ClF2NO/c1-2-19-9-10-3-4-11(16)7-15(10)20-14-6-5-12(17)8-13(14)18/h3-8,19H,2,9H2,1H3
InChIKeyHQTIICFRBYJDQH-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857375
N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine
CID 114857494
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679
N-[[5-fluoro-2-(2,4,5-trichlorophenoxy)phenyl]methyl]ethanamine
CID 43314088
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 114674405
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-[[4-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857647
N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 114855893

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine (CID 114855205) is N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1Oc1ccc(F)cc1F.
What is the InChIKey of N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is HQTIICFRBYJDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-2-19-9-10-3-4-11(16)7-15(10)20-14-6-5-12(17)8-13(14)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine has a molecular weight of 297.73 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114855205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).