2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine

C13H20BrNO3 — CID 103523035

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C13H20BrNO3/c1-5-18-8-13(2,15)9-6-7-10(16-3)11(14)12(9)17-4/h6-7H,5,8,15H2,1-4H3
InChIKeyXBACGAPKBUNJOS-UHFFFAOYSA-N
MW318.21 g/mol
LogP2.68
Rot. Bonds6

About 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine

2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine (PubChem CID 103523035) has the molecular formula C13H20BrNO3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
PubChem CID103523035
Molecular FormulaC13H20BrNO3
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1ccc(OC)c(Br)c1OC
InChIInChI=1S/C13H20BrNO3/c1-5-18-8-13(2,15)9-6-7-10(16-3)11(14)12(9)17-4/h6-7H,5,8,15H2,1-4H3
InChIKeyXBACGAPKBUNJOS-UHFFFAOYSA-N
XLogP2.68
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3,3-dimethylbutan-1-amine
CID 103524210
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanamine
CID 103523005
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoropentan-1-amine
CID 103524213
1-(3-bromo-2,4-dimethoxyphenyl)-1-(3-methylphenyl)ethanamine
CID 103522997
2-(3-bromo-2,4-dimethoxyphenyl)-2-fluoro-3-methylbutan-1-amine
CID 103524211
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)-3,3,3-trifluoropropanoic acid
CID 103523841
2-(3-bromo-2,4-dimethoxyphenyl)-4-(propylamino)butan-2-ol
CID 103524091
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-2-methylpropan-2-amine
CID 113493311
2-amino-1-(3-bromo-2,4-dimethoxyphenyl)-2-methylbutan-1-one
CID 103524317
1-(3-bromo-2,4-dimethoxyphenyl)-1-(2-bromophenyl)ethanol
CID 103522810
4-[1-(3-bromo-2,4-dimethoxyphenyl)-1-hydroxyethyl]phenol
CID 103522937
2-(4-bromo-2-methoxyphenyl)butan-2-amine
CID 130134221

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine (CID 103523035) is 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine is CCOCC(C)(N)c1ccc(OC)c(Br)c1OC.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine?
The InChIKey is XBACGAPKBUNJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3/c1-5-18-8-13(2,15)9-6-7-10(16-3)11(14)12(9)17-4/h6-7H,5,8,15H2,1-4H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine?
2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine has a molecular weight of 318.21 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)-1-ethoxypropan-2-amine is sourced from PubChem (CID 103523035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).