2-amino-1-(3-bromo-5-ethylphenyl)ethanol

C10H14BrNO — CID 84704335

IUPAC2-amino-1-(3-bromo-5-ethylphenyl)ethanol
SMILESCCc1cc(Br)cc(C(O)CN)c1
InChIInChI=1S/C10H14BrNO/c1-2-7-3-8(10(13)6-12)5-9(11)4-7/h3-5,10,13H,2,6,12H2,1H3
InChIKeyXXQFPJLSAATDCW-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.00
Rot. Bonds3

About 2-amino-1-(3-bromo-5-ethylphenyl)ethanol

2-amino-1-(3-bromo-5-ethylphenyl)ethanol (PubChem CID 84704335) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-5-ethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromo-5-ethylphenyl)ethanol
PubChem CID84704335
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-amino-1-(3-bromo-5-ethylphenyl)ethanol
SMILESCCc1cc(Br)cc(C(O)CN)c1
InChIInChI=1S/C10H14BrNO/c1-2-7-3-8(10(13)6-12)5-9(11)4-7/h3-5,10,13H,2,6,12H2,1H3
InChIKeyXXQFPJLSAATDCW-UHFFFAOYSA-N
XLogP2.00
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.00
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-bromo-5-ethylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-bromo-5-ethylphenyl)ethanol (CID 84704335) is 2-amino-1-(3-bromo-5-ethylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-bromo-5-ethylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-bromo-5-ethylphenyl)ethanol is CCc1cc(Br)cc(C(O)CN)c1.
What is the InChIKey of 2-amino-1-(3-bromo-5-ethylphenyl)ethanol?
The InChIKey is XXQFPJLSAATDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-2-7-3-8(10(13)6-12)5-9(11)4-7/h3-5,10,13H,2,6,12H2,1H3.
What are the key properties of 2-amino-1-(3-bromo-5-ethylphenyl)ethanol?
2-amino-1-(3-bromo-5-ethylphenyl)ethanol has a molecular weight of 244.13 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-5-ethylphenyl)ethanol is sourced from PubChem (CID 84704335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).