2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine

C11H16BrNO2 — CID 170868746

IUPAC2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
SMILESCCOc1cc(Br)c(CCN)cc1OC
InChIInChI=1S/C11H16BrNO2/c1-3-15-11-7-9(12)8(4-5-13)6-10(11)14-2/h6-7H,3-5,13H2,1-2H3
InChIKeyGCEUBFUGJXQQSC-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.36
Rot. Bonds5

About 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine

2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine (PubChem CID 170868746) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
PubChem CID170868746
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
SMILESCCOc1cc(Br)c(CCN)cc1OC
InChIInChI=1S/C11H16BrNO2/c1-3-15-11-7-9(12)8(4-5-13)6-10(11)14-2/h6-7H,3-5,13H2,1-2H3
InChIKeyGCEUBFUGJXQQSC-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
(2-bromo-4-ethoxy-5-methoxyphenyl)methyl-ethylazanium
CID 2215425
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
CID 112720413
1-[3-(2-bromo-5-ethoxy-4-methoxyphenyl)propyl]-4-methylpiperazine
CID 170863578
5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentan-1-amine
CID 65301088
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)methanamine
CID 66534133
4-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]phenol
CID 66541244
1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386040
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66538298

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine (CID 170868746) is 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine is CCOc1cc(Br)c(CCN)cc1OC.
What is the InChIKey of 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine?
The InChIKey is GCEUBFUGJXQQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-3-15-11-7-9(12)8(4-5-13)6-10(11)14-2/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine?
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine has a molecular weight of 274.16 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine is sourced from PubChem (CID 170868746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).