1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol

C12H18BrNO3 — CID 60733991

IUPAC1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
SMILESOCCOCCNCC(O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO3/c13-11-3-1-2-10(8-11)12(16)9-14-4-6-17-7-5-15/h1-3,8,12,14-16H,4-7,9H2
InChIKeyZLHPZSCJIRJNTH-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.08
Rot. Bonds8

About 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol

1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol (PubChem CID 60733991) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
PubChem CID60733991
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
SMILESOCCOCCNCC(O)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO3/c13-11-3-1-2-10(8-11)12(16)9-14-4-6-17-7-5-15/h1-3,8,12,14-16H,4-7,9H2
InChIKeyZLHPZSCJIRJNTH-UHFFFAOYSA-N
XLogP1.08
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-2-(3-butoxypropylamino)ethanol
CID 115578408
1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
CID 62380958
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
CID 82312260
2-[3-(2-hydroxyethoxy)propylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 106309771
1-(3-bromophenyl)-2-(2-methylsulfonylethylamino)ethanol
CID 54935167
4-[2-[[(2R)-2-(3-bromophenyl)-2-hydroxyethyl]amino]ethyl]phenol
CID 67873607
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
2-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901239
1-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol
CID 82315910
1-(3-bromophenyl)-2-(2-thiomorpholin-4-ylethylamino)ethanol
CID 106325635
1-(3-bromophenyl)-2-[(4-ethylcyclohexyl)methylamino]ethanol
CID 63490472

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol (CID 60733991) is 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol is OCCOCCNCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol?
The InChIKey is ZLHPZSCJIRJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c13-11-3-1-2-10(8-11)12(16)9-14-4-6-17-7-5-15/h1-3,8,12,14-16H,4-7,9H2.
What are the key properties of 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol?
1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol has a molecular weight of 304.18 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[2-(2-hydroxyethoxy)ethylamino]ethanol is sourced from PubChem (CID 60733991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).