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

C9H11BrClNO — CID 91971197

IUPAC3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
SMILESCl.NCCC(=O)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO.ClH/c10-8-3-1-2-7(6-8)9(12)4-5-11;/h1-3,6H,4-5,11H2;1H
InChIKeyPRTQVKBVJDPGLX-UHFFFAOYSA-N
MW264.55 g/mol
LogP2.40
Rot. Bonds3

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

3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride (PubChem CID 91971197) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is 3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
PubChem CID91971197
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
SMILESCl.NCCC(=O)c1cccc(Br)c1
InChIInChI=1S/C9H10BrNO.ClH/c10-8-3-1-2-7(6-8)9(12)4-5-11;/h1-3,6H,4-5,11H2;1H
InChIKeyPRTQVKBVJDPGLX-UHFFFAOYSA-N
XLogP2.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

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[2-(3-bromophenyl)-2-oxoethyl] carbamate
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1-(3-bromophenyl)hex-4-yn-1-one
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1-(3-bromophenyl)-3-[2-(dimethylamino)ethyl-methylamino]propan-1-one
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3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride (CID 91971197) is 3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride is Cl.NCCC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride?
The InChIKey is PRTQVKBVJDPGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO.ClH/c10-8-3-1-2-7(6-8)9(12)4-5-11;/h1-3,6H,4-5,11H2;1H.
What are the key properties of 3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride?
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride has a molecular weight of 264.55 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 91971197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).