[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine

C14H12BrF2NO — CID 107695003

IUPAC[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrF2NO/c15-12-5-9(1-3-13(12)17)8-19-14-4-2-11(16)6-10(14)7-18/h1-6H,7-8,18H2
InChIKeyDGHCMNCYDKWSMQ-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.77
Rot. Bonds4

About [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine

[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine (PubChem CID 107695003) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
PubChem CID107695003
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name[2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1OCc1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrF2NO/c15-12-5-9(1-3-13(12)17)8-19-14-4-2-11(16)6-10(14)7-18/h1-6H,7-8,18H2
InChIKeyDGHCMNCYDKWSMQ-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-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
[5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorophenyl]methanamine
CID 107879060
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
2-bromo-4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1-fluorobenzene
CID 63534999
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
[4-[(3-bromo-4-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 79886486
1-[(3-bromo-4-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 63457062
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
[5-fluoro-2-[(4-nitrophenyl)methoxy]phenyl]methanamine
CID 107694802

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine (CID 107695003) is [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine is NCc1cc(F)ccc1OCc1ccc(F)c(Br)c1.
What is the InChIKey of [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine?
The InChIKey is DGHCMNCYDKWSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-12-5-9(1-3-13(12)17)8-19-14-4-2-11(16)6-10(14)7-18/h1-6H,7-8,18H2.
What are the key properties of [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine?
[2-[(3-bromo-4-fluorophenyl)methoxy]-5-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 [2-[(3-bromo-4-fluorophenyl)methoxy]-5-fluorophenyl]methanamine is sourced from PubChem (CID 107695003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).