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

C11H16BrNO2 — CID 115122367

IUPAC3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol
SMILESOCC(O)CNCCc1ccccc1Br
InChIInChI=1S/C11H16BrNO2/c12-11-4-2-1-3-9(11)5-6-13-7-10(15)8-14/h1-4,10,13-15H,5-8H2
InChIKeyWZCVAMLIDYRDRY-UHFFFAOYSA-N
MW274.16 g/mol
LogP0.93
Rot. Bonds6

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

3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol (PubChem CID 115122367) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol
PubChem CID115122367
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC Name3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol
SMILESOCC(O)CNCCc1ccccc1Br
InChIInChI=1S/C11H16BrNO2/c12-11-4-2-1-3-9(11)5-6-13-7-10(15)8-14/h1-4,10,13-15H,5-8H2
InChIKeyWZCVAMLIDYRDRY-UHFFFAOYSA-N
XLogP0.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-bromophenyl)ethylamino]-3-hydroxybutanoic acid
CID 115123124
3-[2-(5-bromo-2-methylphenyl)ethylamino]propane-1,2-diol
CID 115122353
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
1-[(2-bromophenyl)methylamino]butan-2-ol
CID 61401914
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
3-[2-(4-ethylphenyl)ethylamino]propane-1,2-diol
CID 115122267
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122528
1-[2-(2-methylphenyl)ethylamino]butan-2-ol
CID 79749191
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol (CID 115122367) is 3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol is OCC(O)CNCCc1ccccc1Br.
What is the InChIKey of 3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol?
The InChIKey is WZCVAMLIDYRDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c12-11-4-2-1-3-9(11)5-6-13-7-10(15)8-14/h1-4,10,13-15H,5-8H2.
What are the key properties of 3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol?
3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol has a molecular weight of 274.16 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 115122367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).