[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine

C14H12BrClFNO — CID 43531259

IUPAC[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C14H12BrClFNO/c15-11-2-4-14(12(16)6-11)19-8-10-5-9(7-18)1-3-13(10)17/h1-6H,7-8,18H2
InChIKeyLHEKJDQBQZBZDW-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.28
Rot. Bonds4

About [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine

[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine (PubChem CID 43531259) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
PubChem CID43531259
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(COc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C14H12BrClFNO/c15-11-2-4-14(12(16)6-11)19-8-10-5-9(7-18)1-3-13(10)17/h1-6H,7-8,18H2
InChIKeyLHEKJDQBQZBZDW-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

3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorobenzohydrazide
CID 107458149
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
2-[2-[(5-bromo-2-fluorophenyl)methoxy]-5-chlorophenyl]ethanamine
CID 60904821
[3-[(3-bromophenoxy)methyl]-4-fluorophenyl]methanamine
CID 43531140
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
2-[(4-bromo-2-chlorophenoxy)methyl]-5-chloroaniline
CID 63459720
1-[(4-bromo-2-fluorophenyl)methoxy]-4-(bromomethyl)-2-chlorobenzene
CID 63534537
[3-[(2,5-difluorophenoxy)methyl]-4-fluorophenyl]methanamine
CID 63269028
4-[(5-bromo-2-fluorophenyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76899269
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine?
The IUPAC name of [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine (CID 43531259) is [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine?
The canonical SMILES for [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine is NCc1ccc(F)c(COc2ccc(Br)cc2Cl)c1.
What is the InChIKey of [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine?
The InChIKey is LHEKJDQBQZBZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-11-2-4-14(12(16)6-11)19-8-10-5-9(7-18)1-3-13(10)17/h1-6H,7-8,18H2.
What are the key properties of [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine?
[3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]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 [3-[(4-bromo-2-chlorophenoxy)methyl]-4-fluorophenyl]methanamine is sourced from PubChem (CID 43531259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).