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

C15H15BrFNO2 — CID 79705064

IUPAC[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-14-3-2-10(8-18)6-15(14)20-9-11-4-12(16)7-13(17)5-11/h2-7H,8-9,18H2,1H3
InChIKeyXHCODPKVNSDSBM-UHFFFAOYSA-N
MW340.19 g/mol
LogP3.63
Rot. Bonds5

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

[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine (PubChem CID 79705064) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
PubChem CID79705064
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-19-14-3-2-10(8-18)6-15(14)20-9-11-4-12(16)7-13(17)5-11/h2-7H,8-9,18H2,1H3
InChIKeyXHCODPKVNSDSBM-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine with MolForge

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Related Compounds

[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[4-[(3-bromo-5-fluorophenyl)methoxy]-3-ethoxyphenyl]methanol
CID 79698175
1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 79671185
N-[(3-bromo-5-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 112731993
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarbothioamide
CID 83145817
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
CID 28973773
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
5-bromo-1-[(3,4-dimethoxyphenyl)methoxy]-2,3-difluorobenzene
CID 107098957

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine (CID 79705064) is [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The InChIKey is XHCODPKVNSDSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-19-14-3-2-10(8-18)6-15(14)20-9-11-4-12(16)7-13(17)5-11/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
[3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine has a molecular weight of 340.19 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 79705064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).