[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine

C13H10Br2FNO — CID 43365001

IUPAC[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Br)cc1Oc1ccc(Br)cc1F
InChIInChI=1S/C13H10Br2FNO/c14-9-3-4-12(11(16)5-9)18-13-6-10(15)2-1-8(13)7-17/h1-6H,7,17H2
InChIKeyDAZZWGFWYOQIDI-UHFFFAOYSA-N
MW375.04 g/mol
LogP4.60
Rot. Bonds3

About [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine

[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine (PubChem CID 43365001) has the molecular formula C13H10Br2FNO and a molecular weight of 375.04 g/mol. Its IUPAC name is [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
PubChem CID43365001
Molecular FormulaC13H10Br2FNO
Molecular Weight375.04 g/mol
Exact Mass372.91
IUPAC Name[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
SMILESNCc1ccc(Br)cc1Oc1ccc(Br)cc1F
InChIInChI=1S/C13H10Br2FNO/c14-9-3-4-12(11(16)5-9)18-13-6-10(15)2-1-8(13)7-17/h1-6H,7,17H2
InChIKeyDAZZWGFWYOQIDI-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.04
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(bromomethyl)phenoxy]-2,4-difluorobenzene
CID 107086532
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
[5-bromo-2-(4-bromo-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 62322750
[4-bromo-2-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417321
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
[2-[(4-bromo-2-fluorophenoxy)methyl]phenyl]methanamine
CID 43531303
[4-bromo-2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622057
[4-bromo-2-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 114900818
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine?
The IUPAC name of [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine (CID 43365001) is [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine?
The canonical SMILES for [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine is NCc1ccc(Br)cc1Oc1ccc(Br)cc1F.
What is the InChIKey of [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine?
The InChIKey is DAZZWGFWYOQIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO/c14-9-3-4-12(11(16)5-9)18-13-6-10(15)2-1-8(13)7-17/h1-6H,7,17H2.
What are the key properties of [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine?
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine has a molecular weight of 375.04 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine is sourced from PubChem (CID 43365001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).