2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine

C15H15BrFNO — CID 81326331

IUPAC2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10-6-11(4-5-18)2-3-15(10)19-14-8-12(16)7-13(17)9-14/h2-3,6-9H,4-5,18H2,1H3
InChIKeyUDNXBXDXIGKDAQ-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.19
Rot. Bonds4

About 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine

2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine (PubChem CID 81326331) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
PubChem CID81326331
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-10-6-11(4-5-18)2-3-15(10)19-14-8-12(16)7-13(17)9-14/h2-3,6-9H,4-5,18H2,1H3
InChIKeyUDNXBXDXIGKDAQ-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]propan-2-amine
CID 81326022
2-[4-(5-bromo-2,3-difluorophenoxy)-3-methylphenyl]ethanamine
CID 107102003
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
[3-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 105407437
2-[2-(3-bromo-5-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 81326172
2-[2-(3-bromo-5-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114863369
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
4-(3-bromo-5-fluorophenoxy)-3-fluoroaniline
CID 81321851
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
CID 63802463
[6-(3-bromo-5-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 81332068
[2-(3-bromo-5-fluorophenoxy)-4-methylphenyl]methanamine
CID 81322221
2-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107171074

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine (CID 81326331) is 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine is Cc1cc(CCN)ccc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine?
The InChIKey is UDNXBXDXIGKDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-6-11(4-5-18)2-3-15(10)19-14-8-12(16)7-13(17)9-14/h2-3,6-9H,4-5,18H2,1H3.
What are the key properties of 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine?
2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine has a molecular weight of 324.19 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine is sourced from PubChem (CID 81326331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).