3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride

C11H17BrClNO — CID 155943823

IUPAC3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride
SMILESCC(N)C(C)(O)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C11H16BrNO.ClH/c1-8(13)11(2,14)7-9-4-3-5-10(12)6-9;/h3-6,8,14H,7,13H2,1-2H3;1H
InChIKeyMOUDPEVNPNOTJW-UHFFFAOYSA-N
MW294.62 g/mol
LogP2.51
Rot. Bonds3

About 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride

3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride (PubChem CID 155943823) has the molecular formula C11H17BrClNO and a molecular weight of 294.62 g/mol. Its IUPAC name is 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride
PubChem CID155943823
Molecular FormulaC11H17BrClNO
Molecular Weight294.62 g/mol
Exact Mass293.02
IUPAC Name3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride
SMILESCC(N)C(C)(O)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C11H16BrNO.ClH/c1-8(13)11(2,14)7-9-4-3-5-10(12)6-9;/h3-6,8,14H,7,13H2,1-2H3;1H
InChIKeyMOUDPEVNPNOTJW-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.62
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride?
The IUPAC name of 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride (CID 155943823) is 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride is CC(N)C(C)(O)Cc1cccc(Br)c1.Cl.
What is the InChIKey of 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride?
The InChIKey is MOUDPEVNPNOTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO.ClH/c1-8(13)11(2,14)7-9-4-3-5-10(12)6-9;/h3-6,8,14H,7,13H2,1-2H3;1H.
What are the key properties of 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride?
3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride has a molecular weight of 294.62 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromophenyl)-2-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 155943823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).