2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol

C10H15BrF2N2OS — CID 107478668

IUPAC2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCC(c1ccc(Br)s1)N(CCO)CC(F)F
InChIInChI=1S/C10H15BrF2N2OS/c11-9-2-1-8(17-9)7(5-14)15(3-4-16)6-10(12)13/h1-2,7,10,16H,3-6,14H2
InChIKeyBOGNHJYICQXKQO-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.07
Rot. Bonds7

About 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol

2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478668) has the molecular formula C10H15BrF2N2OS and a molecular weight of 329.21 g/mol. Its IUPAC name is 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478668
Molecular FormulaC10H15BrF2N2OS
Molecular Weight329.21 g/mol
Exact Mass328.01
IUPAC Name2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol
SMILESNCC(c1ccc(Br)s1)N(CCO)CC(F)F
InChIInChI=1S/C10H15BrF2N2OS/c11-9-2-1-8(17-9)7(5-14)15(3-4-16)6-10(12)13/h1-2,7,10,16H,3-6,14H2
InChIKeyBOGNHJYICQXKQO-UHFFFAOYSA-N
XLogP2.07
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol (CID 107478668) is 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol is NCC(c1ccc(Br)s1)N(CCO)CC(F)F.
What is the InChIKey of 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is BOGNHJYICQXKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF2N2OS/c11-9-2-1-8(17-9)7(5-14)15(3-4-16)6-10(12)13/h1-2,7,10,16H,3-6,14H2.
What are the key properties of 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol?
2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 329.21 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(5-bromothiophen-2-yl)ethyl]-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).