[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine

C14H12BrF2NO — CID 107879060

IUPAC[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COc2cc(F)ccc2Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c15-12-3-2-11(16)6-14(12)19-8-9-1-4-13(17)10(5-9)7-18/h1-6H,7-8,18H2
InChIKeyHSSFWUMFBVIFQO-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.77
Rot. Bonds4

About [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine

[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine (PubChem CID 107879060) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
PubChem CID107879060
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cc(COc2cc(F)ccc2Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c15-12-3-2-11(16)6-14(12)19-8-9-1-4-13(17)10(5-9)7-18/h1-6H,7-8,18H2
InChIKeyHSSFWUMFBVIFQO-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107695003
[5-[(5-bromo-2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879103
[5-[(2,3-difluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879019
[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 63269028
5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881254
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
1-bromo-4-fluoro-2-[(2-fluorophenyl)methoxy]benzene
CID 79020415
[5-[(2,3-dichlorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107878986
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
CID 107879069
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
4-[(2-bromo-5-fluorophenoxy)methyl]-2-chloropyridine
CID 81495867
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221

Frequently Asked Questions

What is the IUPAC name of [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine (CID 107879060) is [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine is NCc1cc(COc2cc(F)ccc2Br)ccc1F.
What is the InChIKey of [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The InChIKey is HSSFWUMFBVIFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-12-3-2-11(16)6-14(12)19-8-9-1-4-13(17)10(5-9)7-18/h1-6H,7-8,18H2.
What are the key properties of [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine?
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine has a molecular weight of 328.16 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107879060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).