1-(4-bromophenyl)-2-(ethylamino)propan-1-one

C11H14BrNO — CID 82100370

IUPAC1-(4-bromophenyl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9/h4-8,13H,3H2,1-2H3
InChIKeyQHHVZFYRRDYLJB-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.63
Rot. Bonds4

About 1-(4-bromophenyl)-2-(ethylamino)propan-1-one

1-(4-bromophenyl)-2-(ethylamino)propan-1-one (PubChem CID 82100370) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(ethylamino)propan-1-one
PubChem CID82100370
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(4-bromophenyl)-2-(ethylamino)propan-1-one
SMILESCCNC(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9/h4-8,13H,3H2,1-2H3
InChIKeyQHHVZFYRRDYLJB-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(ethylamino)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-(ethylamino)propan-1-one (CID 82100370) is 1-(4-bromophenyl)-2-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-(ethylamino)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-(ethylamino)propan-1-one is CCNC(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(ethylamino)propan-1-one?
The InChIKey is QHHVZFYRRDYLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-13-8(2)11(14)9-4-6-10(12)7-5-9/h4-8,13H,3H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(ethylamino)propan-1-one?
1-(4-bromophenyl)-2-(ethylamino)propan-1-one has a molecular weight of 256.14 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(ethylamino)propan-1-one is sourced from PubChem (CID 82100370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).