2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine

C11H16BrNO3 — CID 15185771

IUPAC2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
SMILESCOc1cc(C(CN)OC)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO3/c1-14-9-5-8(12)10(15-2)4-7(9)11(6-13)16-3/h4-5,11H,6,13H2,1-3H3
InChIKeyFYTLQNZPDWLGNU-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.11
Rot. Bonds5

About 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine

2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine (PubChem CID 15185771) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
PubChem CID15185771
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine
SMILESCOc1cc(C(CN)OC)c(OC)cc1Br
InChIInChI=1S/C11H16BrNO3/c1-14-9-5-8(12)10(15-2)4-7(9)11(6-13)16-3/h4-5,11H,6,13H2,1-3H3
InChIKeyFYTLQNZPDWLGNU-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
2-(2,5-dibromo-4-methoxyphenoxy)propan-1-amine
CID 79415829
(1S,2S)-1-(4-bromo-2,5-dimethoxyphenyl)-1-methoxypropan-2-amine;hydrochloride
CID 10042912
1-bromo-4-[1-(4-bromo-2,5-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethoxybenzene
CID 71326987
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171214707
2-(2,5-dichloro-4-methoxyphenyl)-2-methoxyethanamine
CID 82297325
3-(2,5-dibromo-4-methoxyphenoxy)-2-methylpropan-1-amine
CID 79403989
1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
CID 105057365
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine?
The IUPAC name of 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine (CID 15185771) is 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine.
What is the SMILES notation for 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine?
The canonical SMILES for 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine is COc1cc(C(CN)OC)c(OC)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine?
The InChIKey is FYTLQNZPDWLGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-14-9-5-8(12)10(15-2)4-7(9)11(6-13)16-3/h4-5,11H,6,13H2,1-3H3.
What are the key properties of 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine?
2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine has a molecular weight of 290.16 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethoxyphenyl)-2-methoxyethanamine is sourced from PubChem (CID 15185771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).