1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone

C14H20BrNO — CID 82966709

IUPAC1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone
SMILESCCCCN(CC)c1ccc(Br)cc1C(C)=O
InChIInChI=1S/C14H20BrNO/c1-4-6-9-16(5-2)14-8-7-12(15)10-13(14)11(3)17/h7-8,10H,4-6,9H2,1-3H3
InChIKeySRYGVBVMAZXCPB-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.28
Rot. Bonds6

About 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone

1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone (PubChem CID 82966709) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone
PubChem CID82966709
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone
SMILESCCCCN(CC)c1ccc(Br)cc1C(C)=O
InChIInChI=1S/C14H20BrNO/c1-4-6-9-16(5-2)14-8-7-12(15)10-13(14)11(3)17/h7-8,10H,4-6,9H2,1-3H3
InChIKeySRYGVBVMAZXCPB-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
CID 82967352
1-[5-bromo-2-[propyl(prop-2-ynyl)amino]phenyl]ethanone
CID 82967230
4-bromo-N-butyl-2-chloro-N-ethylaniline
CID 146004064
5-bromo-2-(dibutylamino)benzenecarboximidamide
CID 114892850
1-[5-bromo-2-[methyl(pentan-3-yl)amino]phenyl]ethanone
CID 82967354
1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 82966670
5-bromo-N-butyl-N,2-dimethylbenzamide
CID 65306915
5-bromo-N-butyl-2-chloro-N-methylbenzamide
CID 60653969
1-[2-[ethyl(propyl)amino]phenyl]ethanone
CID 43268854
N-(2-acetyl-4-bromophenyl)-N-formylpropanamide
CID 142451491
2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
CID 63782694

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone (CID 82966709) is 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone is CCCCN(CC)c1ccc(Br)cc1C(C)=O.
What is the InChIKey of 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone?
The InChIKey is SRYGVBVMAZXCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-4-6-9-16(5-2)14-8-7-12(15)10-13(14)11(3)17/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone?
1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone has a molecular weight of 298.22 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone is sourced from PubChem (CID 82966709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).