N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine

C15H14BrClFNO — CID 114857494

IUPACN-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrClFNO/c1-2-19-9-10-3-4-11(17)7-15(10)20-12-5-6-13(16)14(18)8-12/h3-8,19H,2,9H2,1H3
InChIKeyMHCSBWBMWCRFQM-UHFFFAOYSA-N
MW358.64 g/mol
LogP5.14
Rot. Bonds5

About N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine

N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine (PubChem CID 114857494) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine
PubChem CID114857494
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC NameN-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrClFNO/c1-2-19-9-10-3-4-11(17)7-15(10)20-12-5-6-13(16)14(18)8-12/h3-8,19H,2,9H2,1H3
InChIKeyMHCSBWBMWCRFQM-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857375
N-[[4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]methyl]ethanamine
CID 114856344
N-[[4-chloro-2-(2,4-difluorophenoxy)phenyl]methyl]ethanamine
CID 114855205
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857685
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 114674405
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[[4-(3-bromo-4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]ethanamine
CID 83234578
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
CID 43283476
N-[[2-(4-bromo-3-methylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 83141064
1-bromo-4-[2-(bromomethyl)-5-chlorophenoxy]-2-methylbenzene
CID 107089078
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 55221727

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine (CID 114857494) is N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine?
The InChIKey is MHCSBWBMWCRFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-2-19-9-10-3-4-11(17)7-15(10)20-12-5-6-13(16)14(18)8-12/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine?
N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine has a molecular weight of 358.64 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-3-fluorophenoxy)-4-chlorophenyl]methyl]ethanamine is sourced from PubChem (CID 114857494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).