N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine

C15H14Cl2FNO — CID 114857685

IUPACN-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14Cl2FNO/c1-2-19-9-10-7-11(16)3-6-15(10)20-12-4-5-13(17)14(18)8-12/h3-8,19H,2,9H2,1H3
InChIKeyYBQKPAJQVYLDFQ-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.03
Rot. Bonds5

About N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine

N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine (PubChem CID 114857685) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
PubChem CID114857685
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC NameN-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(Cl)ccc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14Cl2FNO/c1-2-19-9-10-7-11(16)3-6-15(10)20-12-4-5-13(17)14(18)8-12/h3-8,19H,2,9H2,1H3
InChIKeyYBQKPAJQVYLDFQ-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857375
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
CID 114856304
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344
N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine
CID 114857494
N-[[5-chloro-2-(4-chloro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 114855893
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
N-[[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 103037797
N-[[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methylphenyl]methyl]ethanamine
CID 107879464
N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169862
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine (CID 114857685) is N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine is CCNCc1cc(Cl)ccc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is YBQKPAJQVYLDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-2-19-9-10-7-11(16)3-6-15(10)20-12-4-5-13(17)14(18)8-12/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine?
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine has a molecular weight of 314.19 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 114857685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).