[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine

C14H10F5NO — CID 106485119

IUPAC[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C14H10F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)6-21-8-3-1-2-7(4-8)5-20/h1-4H,5-6,20H2
InChIKeyRMDQAUNLGVPEOZ-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.42
Rot. Bonds4

About [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine

[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine (PubChem CID 106485119) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine
PubChem CID106485119
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C14H10F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)6-21-8-3-1-2-7(4-8)5-20/h1-4H,5-6,20H2
InChIKeyRMDQAUNLGVPEOZ-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[3-[3-(4-fluorophenoxy)propoxy]phenyl]methanamine
CID 43254100
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
[3-(2,2,2-trifluoroethoxy)phenyl]methanamine;hydrochloride
CID 131887014
[3-(2-propylpentoxy)phenyl]methanamine
CID 58027597
[3-(2,3,3,3-tetrafluoropropoxy)phenyl]methanamine
CID 150786633
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819
[3-[(1-methylpyrazol-3-yl)methoxy]phenyl]methanamine
CID 82866670
[3-[(3-nitrophenyl)methoxy]phenyl]methanamine
CID 60880181
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
1-bromo-3-[[3-(bromomethyl)phenoxy]methyl]-2,4-difluorobenzene
CID 114165801
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185

Frequently Asked Questions

What is the IUPAC name of [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine (CID 106485119) is [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine is NCc1cccc(OCc2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is RMDQAUNLGVPEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-10-9(11(16)13(18)14(19)12(10)17)6-21-8-3-1-2-7(4-8)5-20/h1-4H,5-6,20H2.
What are the key properties of [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine?
[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 303.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106485119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).