2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine

C15H15BrFNO — CID 83233344

IUPAC2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-10-3-2-4-11(7-10)15(9-18)19-12-5-6-14(17)13(16)8-12/h2-8,15H,9,18H2,1H3
InChIKeyQKRKMHJHNAVJPT-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.98
Rot. Bonds4

About 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine

2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine (PubChem CID 83233344) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
PubChem CID83233344
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(CN)Oc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H15BrFNO/c1-10-3-2-4-11(7-10)15(9-18)19-12-5-6-14(17)13(16)8-12/h2-8,15H,9,18H2,1H3
InChIKeyQKRKMHJHNAVJPT-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenoxy)-2-(3-fluorophenyl)ethanamine
CID 83232351
2-(3-bromo-4-fluorophenoxy)-2-pyridin-4-ylethanamine
CID 83232517
2-(2-bromo-4-chlorophenoxy)-2-(3-methylphenyl)ethanamine
CID 55020468
2-(4-chloro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 55020229
2-(4-bromo-3-fluorophenoxy)-2-(3-bromophenyl)ethanamine
CID 65203686
2-(4-bromo-3-fluorophenoxy)-2-phenylethanamine
CID 65204084
2-(4-chlorophenyl)-2-(3-methylphenoxy)ethanamine
CID 55015152
2-(4-butan-2-ylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107663903
2-(3-bromo-4-fluorophenoxy)-2-(3-methylthiophen-2-yl)ethanamine
CID 83231873
2-(2-fluoro-3-methylphenoxy)-2-(3-methylphenyl)ethanamine
CID 107656247
2-(4-butylphenoxy)-2-(3-methylphenyl)ethanamine
CID 115492332
2-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 55019896

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine (CID 83233344) is 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine is Cc1cccc(C(CN)Oc2ccc(F)c(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine?
The InChIKey is QKRKMHJHNAVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-10-3-2-4-11(7-10)15(9-18)19-12-5-6-14(17)13(16)8-12/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine?
2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine has a molecular weight of 324.19 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenoxy)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 83233344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).