4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol

C11H16BrNO — CID 83693483

IUPAC4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol
SMILESCC(C)(O)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-11(2,14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10,14H,7,13H2,1-2H3
InChIKeyUJGQJHIMRZOZCJ-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.26
Rot. Bonds3

About 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol

4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol (PubChem CID 83693483) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol
PubChem CID83693483
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol
SMILESCC(C)(O)C(CN)c1ccc(Br)cc1
InChIInChI=1S/C11H16BrNO/c1-11(2,14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10,14H,7,13H2,1-2H3
InChIKeyUJGQJHIMRZOZCJ-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol?
The IUPAC name of 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol (CID 83693483) is 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol is CC(C)(O)C(CN)c1ccc(Br)cc1.
What is the InChIKey of 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol?
The InChIKey is UJGQJHIMRZOZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(2,14)10(7-13)8-3-5-9(12)6-4-8/h3-6,10,14H,7,13H2,1-2H3.
What are the key properties of 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol?
4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromophenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 83693483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).