2-(4-bromo-2-ethoxyphenoxy)propan-1-amine

C11H16BrNO2 — CID 22688857

IUPAC2-(4-bromo-2-ethoxyphenoxy)propan-1-amine
SMILESCCOc1cc(Br)ccc1OC(C)CN
InChIInChI=1S/C11H16BrNO2/c1-3-14-11-6-9(12)4-5-10(11)15-8(2)7-13/h4-6,8H,3,7,13H2,1-2H3
InChIKeyGQOYWXRILGSLEX-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.57
Rot. Bonds5

About 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine

2-(4-bromo-2-ethoxyphenoxy)propan-1-amine (PubChem CID 22688857) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-2-ethoxyphenoxy)propan-1-amine
PubChem CID22688857
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(4-bromo-2-ethoxyphenoxy)propan-1-amine
SMILESCCOc1cc(Br)ccc1OC(C)CN
InChIInChI=1S/C11H16BrNO2/c1-3-14-11-6-9(12)4-5-10(11)15-8(2)7-13/h4-6,8H,3,7,13H2,1-2H3
InChIKeyGQOYWXRILGSLEX-UHFFFAOYSA-N
XLogP2.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-2-methylpropan-1-amine
CID 43243937
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(1S)-1-(5-bromo-2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171226068
[5-bromo-2-(1-ethoxypropan-2-yloxy)phenyl]methanamine
CID 103486275
4-bromo-1-ethoxy-2-iodobenzene
CID 81479588
4-bromo-2-butan-2-yloxy-1-methylbenzene
CID 103693573
4-butan-2-yloxy-3-ethoxybenzamide
CID 6457722
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)acetonitrile
CID 131128388
(1R,2S)-1-amino-1-(5-bromo-2-ethoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171262942
(1S)-1-(4-bromo-2-pentan-2-yloxyphenyl)ethanol
CID 107892395

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine?
The IUPAC name of 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine (CID 22688857) is 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine.
What is the SMILES notation for 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine?
The canonical SMILES for 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine is CCOc1cc(Br)ccc1OC(C)CN.
What is the InChIKey of 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine?
The InChIKey is GQOYWXRILGSLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-14-11-6-9(12)4-5-10(11)15-8(2)7-13/h4-6,8H,3,7,13H2,1-2H3.
What are the key properties of 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine?
2-(4-bromo-2-ethoxyphenoxy)propan-1-amine has a molecular weight of 274.16 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethoxyphenoxy)propan-1-amine is sourced from PubChem (CID 22688857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).