[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine

C14H12BrClFNO — CID 60879629

IUPAC[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C14H12BrClFNO/c15-11-2-4-14(10(5-11)7-18)19-8-9-1-3-12(17)6-13(9)16/h1-6H,7-8,18H2
InChIKeyGSYFDTCCZUPLCO-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.28
Rot. Bonds4

About [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine

[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine (PubChem CID 60879629) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
PubChem CID60879629
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCc1ccc(F)cc1Cl
InChIInChI=1S/C14H12BrClFNO/c15-11-2-4-14(10(5-11)7-18)19-8-9-1-3-12(17)6-13(9)16/h1-6H,7-8,18H2
InChIKeyGSYFDTCCZUPLCO-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-bromo-2-chlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694697
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanol
CID 28825760
2-[5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619479
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[5-bromo-2-[(2,5-dichlorophenyl)methoxy]phenyl]methanamine
CID 65318162
(2R)-N-[[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993891
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-chloro-4-fluorobenzene
CID 102616579
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 28981493
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine (CID 60879629) is [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine is NCc1cc(Br)ccc1OCc1ccc(F)cc1Cl.
What is the InChIKey of [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine?
The InChIKey is GSYFDTCCZUPLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-11-2-4-14(10(5-11)7-18)19-8-9-1-3-12(17)6-13(9)16/h1-6H,7-8,18H2.
What are the key properties of [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine?
[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine has a molecular weight of 344.61 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60879629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).