2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine

C15H15Br2NO — CID 55191488

IUPAC2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
SMILESCc1cc(Br)ccc1OC(CN)c1ccc(Br)cc1
InChIInChI=1S/C15H15Br2NO/c1-10-8-13(17)6-7-14(10)19-15(9-18)11-2-4-12(16)5-3-11/h2-8,15H,9,18H2,1H3
InChIKeyXLCHOUABHROAKI-UHFFFAOYSA-N
MW385.10 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine

2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine (PubChem CID 55191488) has the molecular formula C15H15Br2NO and a molecular weight of 385.10 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
PubChem CID55191488
Molecular FormulaC15H15Br2NO
Molecular Weight385.10 g/mol
Exact Mass382.95
IUPAC Name2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine
SMILESCc1cc(Br)ccc1OC(CN)c1ccc(Br)cc1
InChIInChI=1S/C15H15Br2NO/c1-10-8-13(17)6-7-14(10)19-15(9-18)11-2-4-12(16)5-3-11/h2-8,15H,9,18H2,1H3
InChIKeyXLCHOUABHROAKI-UHFFFAOYSA-N
XLogP4.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.10
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylphenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 63216997
2-(4-bromophenoxy)-2-(4-bromophenyl)ethanamine
CID 55016034
4-(4-bromo-2-methylphenoxy)pentan-1-amine
CID 63217030
2-(5-bromo-2-fluorophenoxy)-2-(4-fluorophenyl)ethanamine
CID 114671834
2-(4-bromophenyl)-2-(2-methylsulfanylphenoxy)ethanamine
CID 63647284
2-(2,4-dibromophenoxy)-2-(2-methylphenyl)ethanamine
CID 64721518
N-[2-(4-bromo-2-methylphenoxy)-2-phenylethyl]cyclopropanamine
CID 63497564
2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine
CID 63459385
O-(4-bromo-2-methylphenyl)hydroxylamine
CID 130500330
2-(4-bromophenyl)-2-(3-chloro-2-fluorophenoxy)ethanamine
CID 116688749
2-(4-bromo-2-methylphenoxy)propanethioamide
CID 63216923
2-(4-bromo-2-propan-2-ylphenoxy)-2-(3-fluorophenyl)ethanamine
CID 115401662

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine (CID 55191488) is 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine is Cc1cc(Br)ccc1OC(CN)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine?
The InChIKey is XLCHOUABHROAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO/c1-10-8-13(17)6-7-14(10)19-15(9-18)11-2-4-12(16)5-3-11/h2-8,15H,9,18H2,1H3.
What are the key properties of 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine?
2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine has a molecular weight of 385.10 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-2-(4-bromophenyl)ethanamine is sourced from PubChem (CID 55191488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).