2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride

C10H14Br2ClNO2 — CID 17290053

IUPAC2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
SMILESCOc1c(Br)cc(Br)cc1CNCCO.Cl
InChIInChI=1S/C10H13Br2NO2.ClH/c1-15-10-7(6-13-2-3-14)4-8(11)5-9(10)12;/h4-5,13-14H,2-3,6H2,1H3;1H
InChIKeyYICADMTYUOTVKE-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.72
Rot. Bonds5

About 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride

2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride (PubChem CID 17290053) has the molecular formula C10H14Br2ClNO2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
PubChem CID17290053
Molecular FormulaC10H14Br2ClNO2
Molecular Weight375.49 g/mol
Exact Mass372.91
IUPAC Name2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride
SMILESCOc1c(Br)cc(Br)cc1CNCCO.Cl
InChIInChI=1S/C10H13Br2NO2.ClH/c1-15-10-7(6-13-2-3-14)4-8(11)5-9(10)12;/h4-5,13-14H,2-3,6H2,1H3;1H
InChIKeyYICADMTYUOTVKE-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propane-1,2-diol
CID 66176532
[4-[[(3,5-dibromo-2-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 107230240
2-[3-[(3,5-dibromo-2-propoxyphenyl)methylamino]propylamino]ethanol
CID 29241687
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850641
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-difluoroethanamine
CID 115405637
3-[(3,5-dibromo-2-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 115655918
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-ethenoxypropan-1-amine
CID 43220909
N-[2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 47112268
2,4,6-tribromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]aniline
CID 63425377
N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide
CID 78977647
1-(4-bromothiophen-2-yl)-N-[(3,5-dibromo-2-methoxyphenyl)methyl]methanamine
CID 47271899
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43224145

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride (CID 17290053) is 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride is COc1c(Br)cc(Br)cc1CNCCO.Cl.
What is the InChIKey of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride?
The InChIKey is YICADMTYUOTVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2.ClH/c1-15-10-7(6-13-2-3-14)4-8(11)5-9(10)12;/h4-5,13-14H,2-3,6H2,1H3;1H.
What are the key properties of 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride?
2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride has a molecular weight of 375.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]ethanol;hydrochloride is sourced from PubChem (CID 17290053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).