1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine

C15H13Br2F2NO — CID 115862408

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C15H13Br2F2NO/c1-21-10-2-3-11(17)8(4-10)5-14(20)15-12(18)6-9(16)7-13(15)19/h2-4,6-7,14H,5,20H2,1H3
InChIKeyNDDMXDGEIJSLFD-UHFFFAOYSA-N
MW421.08 g/mol
LogP4.74
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine

1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine (PubChem CID 115862408) has the molecular formula C15H13Br2F2NO and a molecular weight of 421.08 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
PubChem CID115862408
Molecular FormulaC15H13Br2F2NO
Molecular Weight421.08 g/mol
Exact Mass418.93
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C15H13Br2F2NO/c1-21-10-2-3-11(17)8(4-10)5-14(20)15-12(18)6-9(16)7-13(15)19/h2-4,6-7,14H,5,20H2,1H3
InChIKeyNDDMXDGEIJSLFD-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.08
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105137155
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine
CID 115862152
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
2-(2-bromo-5-fluorophenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 115843812
2-(4-bromophenyl)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine
CID 60964951
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 65325066
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105190420

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine (CID 115862408) is 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine is COc1ccc(Br)c(CC(N)c2c(F)cc(Br)cc2F)c1.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine?
The InChIKey is NDDMXDGEIJSLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2F2NO/c1-21-10-2-3-11(17)8(4-10)5-14(20)15-12(18)6-9(16)7-13(15)19/h2-4,6-7,14H,5,20H2,1H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine?
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine has a molecular weight of 421.08 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine is sourced from PubChem (CID 115862408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).