N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine

C15H13BrClF2NO — CID 63552010

IUPACN-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Oc2ccc(Cl)cc2Br)c(F)c1
InChIInChI=1S/C15H13BrClF2NO/c1-2-20-8-9-5-12(18)15(13(19)6-9)21-14-4-3-10(17)7-11(14)16/h3-7,20H,2,8H2,1H3
InChIKeyDBHUQXKWPKYWTD-UHFFFAOYSA-N
MW376.63 g/mol
LogP5.28
Rot. Bonds5

About N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine

N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine (PubChem CID 63552010) has the molecular formula C15H13BrClF2NO and a molecular weight of 376.63 g/mol. Its IUPAC name is N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
PubChem CID63552010
Molecular FormulaC15H13BrClF2NO
Molecular Weight376.63 g/mol
Exact Mass374.98
IUPAC NameN-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Oc2ccc(Cl)cc2Br)c(F)c1
InChIInChI=1S/C15H13BrClF2NO/c1-2-20-8-9-5-12(18)15(13(19)6-9)21-14-4-3-10(17)7-11(14)16/h3-7,20H,2,8H2,1H3
InChIKeyDBHUQXKWPKYWTD-UHFFFAOYSA-N
XLogP5.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552938
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
CID 43283476
N-[[3-(2-bromo-4-chlorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406870
N-[[6-(2-bromo-4-chlorophenoxy)-5-chloro-3-pyridinyl]methyl]ethanamine
CID 62321494
N-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63880043
4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde
CID 63050225
N-[[3-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 106533376
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679
N-[[4-(4-bromo-2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 107659542
N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795
4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzenecarbothioamide
CID 81285921
N-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552720

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine (CID 63552010) is N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine is CCNCc1cc(F)c(Oc2ccc(Cl)cc2Br)c(F)c1.
What is the InChIKey of N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine?
The InChIKey is DBHUQXKWPKYWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2NO/c1-2-20-8-9-5-12(18)15(13(19)6-9)21-14-4-3-10(17)7-11(14)16/h3-7,20H,2,8H2,1H3.
What are the key properties of N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine?
N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine has a molecular weight of 376.63 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63552010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).