2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride

C12H19BrClNO — CID 3030928

IUPAC2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)NCCc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H18BrNO.ClH/c1-12(2,9-15)14-8-7-10-3-5-11(13)6-4-10;/h3-6,14-15H,7-9H2,1-2H3;1H
InChIKeySOWWNYMVOOCOSN-UHFFFAOYSA-N
MW308.65 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride

2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride (PubChem CID 3030928) has the molecular formula C12H19BrClNO and a molecular weight of 308.65 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride
PubChem CID3030928
Molecular FormulaC12H19BrClNO
Molecular Weight308.65 g/mol
Exact Mass307.03
IUPAC Name2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)NCCc1ccc(Br)cc1.Cl
InChIInChI=1S/C12H18BrNO.ClH/c1-12(2,9-15)14-8-7-10-3-5-11(13)6-4-10;/h3-6,14-15H,7-9H2,1-2H3;1H
InChIKeySOWWNYMVOOCOSN-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride (CID 3030928) is 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride is CC(C)(CO)NCCc1ccc(Br)cc1.Cl.
What is the InChIKey of 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride?
The InChIKey is SOWWNYMVOOCOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO.ClH/c1-12(2,9-15)14-8-7-10-3-5-11(13)6-4-10;/h3-6,14-15H,7-9H2,1-2H3;1H.
What are the key properties of 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride?
2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride has a molecular weight of 308.65 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethylamino]-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3030928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).