N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine

C15H14Cl2FNO — CID 116689563

IUPACN-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C15H14Cl2FNO/c1-2-19-9-10-11(16)5-3-7-13(10)20-14-8-4-6-12(17)15(14)18/h3-8,19H,2,9H2,1H3
InChIKeyPFDCJEAAHYKSLJ-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.03
Rot. Bonds5

About N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine

N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine (PubChem CID 116689563) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
PubChem CID116689563
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC NameN-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C15H14Cl2FNO/c1-2-19-9-10-11(16)5-3-7-13(10)20-14-8-4-6-12(17)15(14)18/h3-8,19H,2,9H2,1H3
InChIKeyPFDCJEAAHYKSLJ-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-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
N-[[2-chloro-6-(2-ethylphenoxy)phenyl]methyl]ethanamine
CID 43283802
N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 116690059
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
CID 43283090
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]ethanamine
CID 63552227
N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine
CID 114319001
N-[[2-chloro-6-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 114319059

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine (CID 116689563) is N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1Oc1cccc(Cl)c1F.
What is the InChIKey of N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is PFDCJEAAHYKSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-2-19-9-10-11(16)5-3-7-13(10)20-14-8-4-6-12(17)15(14)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(3-chloro-2-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-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 116689563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).