2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol

C11H16Br2N2O2 — CID 117274749

IUPAC2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol
SMILESCOc1c(Br)c(CCN)c(O)c(Br)c1CCN
InChIInChI=1S/C11H16Br2N2O2/c1-17-11-7(3-5-15)8(12)10(16)6(2-4-14)9(11)13/h16H,2-5,14-15H2,1H3
InChIKeyFXWFQHNDUDSCJC-UHFFFAOYSA-N
MW368.07 g/mol
LogP1.93
Rot. Bonds5

About 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol

2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol (PubChem CID 117274749) has the molecular formula C11H16Br2N2O2 and a molecular weight of 368.07 g/mol. Its IUPAC name is 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol.

Molecular Properties

Compound Name2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol
PubChem CID117274749
Molecular FormulaC11H16Br2N2O2
Molecular Weight368.07 g/mol
Exact Mass365.96
IUPAC Name2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol
SMILESCOc1c(Br)c(CCN)c(O)c(Br)c1CCN
InChIInChI=1S/C11H16Br2N2O2/c1-17-11-7(3-5-15)8(12)10(16)6(2-4-14)9(11)13/h16H,2-5,14-15H2,1H3
InChIKeyFXWFQHNDUDSCJC-UHFFFAOYSA-N
XLogP1.93
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117414326
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
2-(aminomethyl)-6-bromo-4-chloro-3,5-dimethoxyphenol;hydrochloride
CID 45259840
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
CID 117468532
3-(2-aminoethyl)-2-methoxy-4-methylphenol
CID 117278761
4-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491322
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
CID 84811292
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
4-(2-bromo-6-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 117461392
4-(3-bromo-2-methoxy-4,6-dimethylphenyl)butan-1-amine
CID 117461386
2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine
CID 162461406
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-1-amine
CID 116924825

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol?
The IUPAC name of 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol (CID 117274749) is 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol.
What is the SMILES notation for 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol?
The canonical SMILES for 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol is COc1c(Br)c(CCN)c(O)c(Br)c1CCN.
What is the InChIKey of 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol?
The InChIKey is FXWFQHNDUDSCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2/c1-17-11-7(3-5-15)8(12)10(16)6(2-4-14)9(11)13/h16H,2-5,14-15H2,1H3.
What are the key properties of 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol?
2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol has a molecular weight of 368.07 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol is sourced from PubChem (CID 117274749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).