2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol

C13H19BrN2O — CID 55023077

IUPAC2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol
SMILESNCC(c1ccccc1Br)N(CCO)C1CC1
InChIInChI=1S/C13H19BrN2O/c14-12-4-2-1-3-11(12)13(9-15)16(7-8-17)10-5-6-10/h1-4,10,13,17H,5-9,15H2
InChIKeyGESSVXASUXEXRY-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.91
Rot. Bonds6

About 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol

2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol (PubChem CID 55023077) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol
PubChem CID55023077
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol
SMILESNCC(c1ccccc1Br)N(CCO)C1CC1
InChIInChI=1S/C13H19BrN2O/c14-12-4-2-1-3-11(12)13(9-15)16(7-8-17)10-5-6-10/h1-4,10,13,17H,5-9,15H2
InChIKeyGESSVXASUXEXRY-UHFFFAOYSA-N
XLogP1.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol?
The IUPAC name of 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol (CID 55023077) is 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol is NCC(c1ccccc1Br)N(CCO)C1CC1.
What is the InChIKey of 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol?
The InChIKey is GESSVXASUXEXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-12-4-2-1-3-11(12)13(9-15)16(7-8-17)10-5-6-10/h1-4,10,13,17H,5-9,15H2.
What are the key properties of 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol?
2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol has a molecular weight of 299.21 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(2-bromophenyl)ethyl]-cyclopropylamino]ethanol is sourced from PubChem (CID 55023077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).