1-(3-bromophenyl)-2-(propylamino)ethanone

C11H14BrNO — CID 82102333

IUPAC1-(3-bromophenyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-2-6-13-8-11(14)9-4-3-5-10(12)7-9/h3-5,7,13H,2,6,8H2,1H3
InChIKeyLKYWXROLZGMRCC-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.63
Rot. Bonds5

About 1-(3-bromophenyl)-2-(propylamino)ethanone

1-(3-bromophenyl)-2-(propylamino)ethanone (PubChem CID 82102333) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(propylamino)ethanone
PubChem CID82102333
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(3-bromophenyl)-2-(propylamino)ethanone
SMILESCCCNCC(=O)c1cccc(Br)c1
InChIInChI=1S/C11H14BrNO/c1-2-6-13-8-11(14)9-4-3-5-10(12)7-9/h3-5,7,13H,2,6,8H2,1H3
InChIKeyLKYWXROLZGMRCC-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[2-(propylamino)ethylamino]ethanone
CID 69282743
1-(3-bromophenyl)butan-1-one
CID 18417701
1-(3-bromophenyl)propan-1-one;ethane
CID 145351715
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 60679933
1-(3-bromophenyl)dodecan-1-one
CID 146009457
1-(3-bromophenyl)-2-iodoethanone
CID 22380807
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
3-bromo-N-(propylcarbamothioyl)benzamide
CID 54791594
3-amino-1-(3-bromophenyl)propan-1-one;hydrochloride
CID 91971197
1-(3-aminophenyl)-2-[3-(diethylamino)propylamino]ethanone
CID 82258278
3-amino-1-(3-bromophenyl)butan-1-one
CID 81462573
1-(3-bromophenyl)pent-3-yn-1-one
CID 62310173

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(propylamino)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(propylamino)ethanone (CID 82102333) is 1-(3-bromophenyl)-2-(propylamino)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(propylamino)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(propylamino)ethanone is CCCNCC(=O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(propylamino)ethanone?
The InChIKey is LKYWXROLZGMRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-6-13-8-11(14)9-4-3-5-10(12)7-9/h3-5,7,13H,2,6,8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(propylamino)ethanone?
1-(3-bromophenyl)-2-(propylamino)ethanone has a molecular weight of 256.14 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(propylamino)ethanone is sourced from PubChem (CID 82102333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).