[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine

C14H12BrF2NO — CID 107114175

IUPAC[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cccc(COc2cc(F)cc(Br)c2)c1F
InChIInChI=1S/C14H12BrF2NO/c15-11-4-12(16)6-13(5-11)19-8-10-3-1-2-9(7-18)14(10)17/h1-6H,7-8,18H2
InChIKeyJWCWWULPUMNZIZ-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.77
Rot. Bonds4

About [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine

[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine (PubChem CID 107114175) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
PubChem CID107114175
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name[3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
SMILESNCc1cccc(COc2cc(F)cc(Br)c2)c1F
InChIInChI=1S/C14H12BrF2NO/c15-11-4-12(16)6-13(5-11)19-8-10-3-1-2-9(7-18)14(10)17/h1-6H,7-8,18H2
InChIKeyJWCWWULPUMNZIZ-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

1-[(3-bromo-5-fluorophenoxy)methyl]naphthalene
CID 81331619
1-bromo-3-[(2-chloro-3-fluorophenyl)methoxy]-5-fluorobenzene
CID 112652328
2-amino-6-[(3-bromo-5-fluorophenoxy)methyl]benzoic acid
CID 104825543
2-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460808
1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621
[3-[(4-bromo-3-methylphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114188
2-[(3-bromo-5-fluorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 81332303
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114137
N-[[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 81314653
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboximidamide
CID 81331646
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 81325707

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine (CID 107114175) is [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine is NCc1cccc(COc2cc(F)cc(Br)c2)c1F.
What is the InChIKey of [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine?
The InChIKey is JWCWWULPUMNZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-11-4-12(16)6-13(5-11)19-8-10-3-1-2-9(7-18)14(10)17/h1-6H,7-8,18H2.
What are the key properties of [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine?
[3-[(3-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 [3-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107114175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).