2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine

C14H22BrNO — CID 107885585

IUPAC2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine
SMILESCCCC(C)Oc1c(C)cc(Br)cc1CCN
InChIInChI=1S/C14H22BrNO/c1-4-5-11(3)17-14-10(2)8-13(15)9-12(14)6-7-16/h8-9,11H,4-7,16H2,1-3H3
InChIKeyWUXWDRLBADMXSZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.83
Rot. Bonds6

About 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine

2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine (PubChem CID 107885585) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine
PubChem CID107885585
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine
SMILESCCCC(C)Oc1c(C)cc(Br)cc1CCN
InChIInChI=1S/C14H22BrNO/c1-4-5-11(3)17-14-10(2)8-13(15)9-12(14)6-7-16/h8-9,11H,4-7,16H2,1-3H3
InChIKeyWUXWDRLBADMXSZ-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-(bromomethyl)-3-methyl-2-pentan-2-yloxybenzene
CID 107896183
2-[5-bromo-2-(difluoromethoxy)-3-methylphenyl]ethanamine
CID 112621644
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanenitrile
CID 112621566
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]propanoic acid
CID 115962678
2-[5-bromo-3-methyl-2-(1-phenylethoxy)phenyl]ethanamine
CID 115962662
2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
CID 112621515
ethyl 2-[2-(aminomethyl)-4-bromo-6-methylphenoxy]pentanoate
CID 115960928
2-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]ethanamine
CID 112621647
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112621624
5-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]pentanenitrile
CID 112621576
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-ethylacetamide
CID 112621650
2-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N-pentan-3-ylacetamide
CID 115962726

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine (CID 107885585) is 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine is CCCC(C)Oc1c(C)cc(Br)cc1CCN.
What is the InChIKey of 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine?
The InChIKey is WUXWDRLBADMXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-5-11(3)17-14-10(2)8-13(15)9-12(14)6-7-16/h8-9,11H,4-7,16H2,1-3H3.
What are the key properties of 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine?
2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine has a molecular weight of 300.24 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 107885585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).