[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine

C14H13BrFNO — CID 43531140

IUPAC[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(COc2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrFNO/c15-12-2-1-3-13(7-12)18-9-11-6-10(8-17)4-5-14(11)16/h1-7H,8-9,17H2
InChIKeyKMIJWZQMLHEOGO-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.63
Rot. Bonds4

About [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine

[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine (PubChem CID 43531140) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine
PubChem CID43531140
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(COc2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrFNO/c15-12-2-1-3-13(7-12)18-9-11-6-10(8-17)4-5-14(11)16/h1-7H,8-9,17H2
InChIKeyKMIJWZQMLHEOGO-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43169661
[3-[(4-bromo-3-methylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 83134024
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531259
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
[3-[(4-tert-butylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 29282707
[3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531350
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549
[4-fluoro-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methanamine
CID 103289061
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
CID 107879028
[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 63269028
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine (CID 43531140) is [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine is NCc1ccc(F)c(COc2cccc(Br)c2)c1.
What is the InChIKey of [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine?
The InChIKey is KMIJWZQMLHEOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-12-2-1-3-13(7-12)18-9-11-6-10(8-17)4-5-14(11)16/h1-7H,8-9,17H2.
What are the key properties of [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine?
[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine has a molecular weight of 310.17 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 43531140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).