[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine

C14H12Cl2FNO — CID 107694925

IUPAC[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-12-2-1-3-13(16)11(12)8-19-14-5-4-10(17)6-9(14)7-18/h1-6H,7-8,18H2
InChIKeyFVRWGSLXCLXUBB-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.17
Rot. Bonds4

About [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine

[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine (PubChem CID 107694925) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
PubChem CID107694925
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H12Cl2FNO/c15-12-2-1-3-13(16)11(12)8-19-14-5-4-10(17)6-9(14)7-18/h1-6H,7-8,18H2
InChIKeyFVRWGSLXCLXUBB-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methyl]ethanamine
CID 107695682
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 60889382
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762
[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
2-[(2-bromo-4-fluorophenoxy)methyl]-3-chloroaniline
CID 63747303
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 63368063
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 60879629
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine (CID 107694925) is [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine is NCc1cc(F)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine?
The InChIKey is FVRWGSLXCLXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-12-2-1-3-13(16)11(12)8-19-14-5-4-10(17)6-9(14)7-18/h1-6H,7-8,18H2.
What are the key properties of [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine?
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine has a molecular weight of 300.16 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine is sourced from PubChem (CID 107694925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).