2-amino-1-(3-bromophenyl)ethanol

C8H10BrNO — CID 22021067

IUPAC2-amino-1-(3-bromophenyl)ethanol
SMILESNCC(O)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKeyMKDZOLCWDXTLIF-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.44
Rot. Bonds2

About 2-amino-1-(3-bromophenyl)ethanol

2-amino-1-(3-bromophenyl)ethanol (PubChem CID 22021067) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2-amino-1-(3-bromophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromophenyl)ethanol
PubChem CID22021067
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2-amino-1-(3-bromophenyl)ethanol
SMILESNCC(O)c1cccc(Br)c1
InChIInChI=1S/C8H10BrNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2
InChIKeyMKDZOLCWDXTLIF-UHFFFAOYSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromophenyl)ethanol?
The IUPAC name of 2-amino-1-(3-bromophenyl)ethanol (CID 22021067) is 2-amino-1-(3-bromophenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-bromophenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-bromophenyl)ethanol is NCC(O)c1cccc(Br)c1.
What is the InChIKey of 2-amino-1-(3-bromophenyl)ethanol?
The InChIKey is MKDZOLCWDXTLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4,8,11H,5,10H2.
What are the key properties of 2-amino-1-(3-bromophenyl)ethanol?
2-amino-1-(3-bromophenyl)ethanol has a molecular weight of 216.08 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromophenyl)ethanol is sourced from PubChem (CID 22021067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).