[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine

C14H12F3NO — CID 63269028

IUPAC[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(COc2cc(F)ccc2F)c1
InChIInChI=1S/C14H12F3NO/c15-11-2-4-13(17)14(6-11)19-8-10-5-9(7-18)1-3-12(10)16/h1-6H,7-8,18H2
InChIKeyMRLBMELILIMTLH-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.14
Rot. Bonds4

About [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine

[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine (PubChem CID 63269028) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
PubChem CID63269028
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(COc2cc(F)ccc2F)c1
InChIInChI=1S/C14H12F3NO/c15-11-2-4-13(17)14(6-11)19-8-10-5-9(7-18)1-3-12(10)16/h1-6H,7-8,18H2
InChIKeyMRLBMELILIMTLH-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(2-ethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43364228
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879060
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
CID 103289061
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531259
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[3-[(4-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 29282707
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665

Frequently Asked Questions

What is the IUPAC name of [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine (CID 63269028) is [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine is NCc1ccc(F)c(COc2cc(F)ccc2F)c1.
What is the InChIKey of [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine?
The InChIKey is MRLBMELILIMTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-11-2-4-13(17)14(6-11)19-8-10-5-9(7-18)1-3-12(10)16/h1-6H,7-8,18H2.
What are the key properties of [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine?
[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine has a molecular weight of 267.25 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 63269028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).