3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol

C11H16BrNO3 — CID 66169524

IUPAC3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol
SMILESOCC(O)CNCCOc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO3/c12-9-2-1-3-11(6-9)16-5-4-13-7-10(15)8-14/h1-3,6,10,13-15H,4-5,7-8H2
InChIKeyOLGMDOFCBWSSNY-UHFFFAOYSA-N
MW290.16 g/mol
LogP0.77
Rot. Bonds7

About 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol

3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol (PubChem CID 66169524) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol
PubChem CID66169524
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol
SMILESOCC(O)CNCCOc1cccc(Br)c1
InChIInChI=1S/C11H16BrNO3/c12-9-2-1-3-11(6-9)16-5-4-13-7-10(15)8-14/h1-3,6,10,13-15H,4-5,7-8H2
InChIKeyOLGMDOFCBWSSNY-UHFFFAOYSA-N
XLogP0.77
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 50.77
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-bromophenoxy)-3-(3-propan-2-yloxypropylamino)propan-2-ol
CID 4555054
2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959
1-(3-bromophenoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729322
3-[2-(3-bromophenoxy)ethylamino]-2-methylbutan-1-ol
CID 113484809
1-(3-bromophenoxy)-3-[3-(cyclopropylmethoxy)propylamino]propan-2-ol
CID 103603711
1-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
4-bromo-N-[2-(3-bromophenoxy)ethyl]butan-1-amine
CID 106844841
1-(3-bromophenyl)-2-(3-phenoxypropylamino)ethanol
CID 62380958
2-[3-(3-bromophenoxy)propylamino]ethanol;oxalic acid
CID 2922414
N'-[2-(3-bromophenoxy)ethyl]ethane-1,2-diamine;oxalic acid
CID 2923572
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
N-[2-(3-bromophenoxy)ethyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114467776

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol (CID 66169524) is 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol is OCC(O)CNCCOc1cccc(Br)c1.
What is the InChIKey of 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol?
The InChIKey is OLGMDOFCBWSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c12-9-2-1-3-11(6-9)16-5-4-13-7-10(15)8-14/h1-3,6,10,13-15H,4-5,7-8H2.
What are the key properties of 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol?
3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol has a molecular weight of 290.16 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromophenoxy)ethylamino]propane-1,2-diol is sourced from PubChem (CID 66169524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).