1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone

C13H16BrNO — CID 43794974

IUPAC1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H16BrNO/c1-2-15(12-6-7-12)9-13(16)10-4-3-5-11(14)8-10/h3-5,8,12H,2,6-7,9H2,1H3
InChIKeyJABFPJYHIQMPFN-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.12
Rot. Bonds5

About 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone

1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone (PubChem CID 43794974) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
PubChem CID43794974
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
SMILESCCN(CC(=O)c1cccc(Br)c1)C1CC1
InChIInChI=1S/C13H16BrNO/c1-2-15(12-6-7-12)9-13(16)10-4-3-5-11(14)8-10/h3-5,8,12H,2,6-7,9H2,1H3
InChIKeyJABFPJYHIQMPFN-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
1-(3-bromophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]ethanone
CID 43227315
1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 62031890
1-(3-chlorophenyl)-2-[cyclopropyl(propyl)amino]ethanone
CID 43795533
1-(3-bromophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]ethanone
CID 102632948
1-(3-bromophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62611994
1-(3-bromophenyl)-2-[cyclopropylmethyl(propan-2-yl)amino]ethanone
CID 54999992
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 62030145
1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 55256902
2-[cyclohexyl(ethyl)amino]-1-(3,4-dichlorophenyl)ethanone
CID 43219722

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone (CID 43794974) is 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone is CCN(CC(=O)c1cccc(Br)c1)C1CC1.
What is the InChIKey of 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone?
The InChIKey is JABFPJYHIQMPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-2-15(12-6-7-12)9-13(16)10-4-3-5-11(14)8-10/h3-5,8,12H,2,6-7,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone?
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone has a molecular weight of 282.18 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone is sourced from PubChem (CID 43794974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).