2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride

C9H11BrClNO — CID 3070916

IUPAC2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C9H10BrNO.ClH/c1-6(11)9(12)7-2-4-8(10)5-3-7;/h2-6H,11H2,1H3;1H
InChIKeyGTSDJPXZCAAERE-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.40
Rot. Bonds2

About 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride

2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride (PubChem CID 3070916) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride
PubChem CID3070916
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C9H10BrNO.ClH/c1-6(11)9(12)7-2-4-8(10)5-3-7;/h2-6H,11H2,1H3;1H
InChIKeyGTSDJPXZCAAERE-UHFFFAOYSA-N
XLogP2.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride (CID 3070916) is 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride is CC(N)C(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride?
The InChIKey is GTSDJPXZCAAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO.ClH/c1-6(11)9(12)7-2-4-8(10)5-3-7;/h2-6H,11H2,1H3;1H.
What are the key properties of 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride?
2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride has a molecular weight of 264.55 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromophenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 3070916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).