1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride

C11H15BrClNO — CID 2939125

IUPAC1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c1-13(2)7-6-11(14)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3;1H
InChIKeyVFZWWIDLBQXROK-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride

1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride (PubChem CID 2939125) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
PubChem CID2939125
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
SMILESCN(C)CCC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c1-13(2)7-6-11(14)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3;1H
InChIKeyVFZWWIDLBQXROK-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride (CID 2939125) is 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride is CN(C)CCC(=O)c1cccc(Br)c1.Cl.
What is the InChIKey of 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
The InChIKey is VFZWWIDLBQXROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO.ClH/c1-13(2)7-6-11(14)9-4-3-5-10(12)8-9;/h3-5,8H,6-7H2,1-2H3;1H.
What are the key properties of 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride?
1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride has a molecular weight of 292.60 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(dimethylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 2939125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).