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

C15H13BrClF2NO — CID 115862152

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C15H13BrClF2NO/c1-21-9-2-3-11(16)8(4-9)5-15(20)10-6-14(19)12(17)7-13(10)18/h2-4,6-7,15H,5,20H2,1H3
InChIKeyJSLABZAYCDMVDG-UHFFFAOYSA-N
MW376.63 g/mol
LogP4.63
Rot. Bonds4

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

2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine (PubChem CID 115862152) has the molecular formula C15H13BrClF2NO and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine
PubChem CID115862152
Molecular FormulaC15H13BrClF2NO
Molecular Weight376.63 g/mol
Exact Mass374.98
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine
SMILESCOc1ccc(Br)c(CC(N)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C15H13BrClF2NO/c1-21-9-2-3-11(16)8(4-9)5-15(20)10-6-14(19)12(17)7-13(10)18/h2-4,6-7,15H,5,20H2,1H3
InChIKeyJSLABZAYCDMVDG-UHFFFAOYSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
1-(2-bromo-5-methoxyphenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866744
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105190420
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
2-(4-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105137155
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149
1-(4-chloro-2,5-difluorophenyl)-2-(2-chlorophenyl)ethanamine
CID 82773222
1-(2-bromo-5-methoxyphenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 115801395
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
[2-(2-bromo-5-methoxyphenyl)-1-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105215387

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine (CID 115862152) is 2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine is COc1ccc(Br)c(CC(N)c2cc(F)c(Cl)cc2F)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine?
The InChIKey is JSLABZAYCDMVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClF2NO/c1-21-9-2-3-11(16)8(4-9)5-15(20)10-6-14(19)12(17)7-13(10)18/h2-4,6-7,15H,5,20H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine has a molecular weight of 376.63 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2,5-difluorophenyl)ethanamine is sourced from PubChem (CID 115862152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).