N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine

C15H14F3NO — CID 63075795

IUPACN-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-2-19-9-10-7-13(17)15(14(18)8-10)20-12-5-3-11(16)4-6-12/h3-8,19H,2,9H2,1H3
InChIKeyUNMXHCGZJWKXGA-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.01
Rot. Bonds5

About N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine

N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine (PubChem CID 63075795) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
PubChem CID63075795
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Oc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-2-19-9-10-7-13(17)15(14(18)8-10)20-12-5-3-11(16)4-6-12/h3-8,19H,2,9H2,1H3
InChIKeyUNMXHCGZJWKXGA-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63075624
N-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63880043
N-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552720
N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 63550530
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
N-[[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552938

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine (CID 63075795) is N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine is CCNCc1cc(F)c(Oc2ccc(F)cc2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine?
The InChIKey is UNMXHCGZJWKXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-19-9-10-7-13(17)15(14(18)8-10)20-12-5-3-11(16)4-6-12/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine?
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63075795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).