2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine

C11H16BrNO3 — CID 162461406

IUPAC2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(CCN)c(OC)c(OC)c1Br
InChIInChI=1S/C11H16BrNO3/c1-14-8-6-7(4-5-13)10(15-2)11(16-3)9(8)12/h6H,4-5,13H2,1-3H3
InChIKeyLVAFPFOHAVOEAW-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine

2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine (PubChem CID 162461406) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine
PubChem CID162461406
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine
SMILESCOc1cc(CCN)c(OC)c(OC)c1Br
InChIInChI=1S/C11H16BrNO3/c1-14-8-6-7(4-5-13)10(15-2)11(16-3)9(8)12/h6H,4-5,13H2,1-3H3
InChIKeyLVAFPFOHAVOEAW-UHFFFAOYSA-N
XLogP1.98
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
3-(2-aminoethyl)-4,5-dimethoxyphenol
CID 117287027
2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 88540322
2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-(6,7-dimethoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54401717
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815071
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-(4-cyclopropylsulfanyl-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493482
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine (CID 162461406) is 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine is COc1cc(CCN)c(OC)c(OC)c1Br.
What is the InChIKey of 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine?
The InChIKey is LVAFPFOHAVOEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-14-8-6-7(4-5-13)10(15-2)11(16-3)9(8)12/h6H,4-5,13H2,1-3H3.
What are the key properties of 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine?
2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine has a molecular weight of 290.16 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 162461406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).