[2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone

C15H12BrF2NO — CID 106944059

IUPAC[2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone
SMILESNCCc1ccccc1C(=O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H12BrF2NO/c16-11-5-6-12(17)13(14(11)18)15(20)10-4-2-1-3-9(10)7-8-19/h1-6H,7-8,19H2
InChIKeyYWKQJHVBXAGWQO-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.46
Rot. Bonds4

About [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone

[2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone (PubChem CID 106944059) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone
PubChem CID106944059
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name[2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone
SMILESNCCc1ccccc1C(=O)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H12BrF2NO/c16-11-5-6-12(17)13(14(11)18)15(20)10-4-2-1-3-9(10)7-8-19/h1-6H,7-8,19H2
InChIKeyYWKQJHVBXAGWQO-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone 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

(3-bromo-2,6-difluorophenyl)-phenylmethanone
CID 106941652
1-(3-bromo-2,6-difluorophenyl)-2-pyridin-2-ylethanone
CID 106941653
2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide
CID 107599647
2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone
CID 106943998
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
1-(3-bromo-2,6-difluorophenyl)-3,3,3-trifluoropropan-1-one
CID 106941670
3-bromo-2,6-difluorobenzoyl chloride
CID 51000132
2-[2-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]ethanamine
CID 106269112
1-(3-bromo-2,6-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 106941686
(3-bromo-2,6-difluorophenyl)-pyridin-3-ylmethanone
CID 106941643
(3-amino-5-bromophenyl)-(3-bromo-2,6-difluorophenyl)methanone
CID 106944116
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-2-fluorobenzamide
CID 107956077

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone (CID 106944059) is [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone is NCCc1ccccc1C(=O)c1c(F)ccc(Br)c1F.
What is the InChIKey of [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone?
The InChIKey is YWKQJHVBXAGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-11-5-6-12(17)13(14(11)18)15(20)10-4-2-1-3-9(10)7-8-19/h1-6H,7-8,19H2.
What are the key properties of [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone?
[2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone has a molecular weight of 340.17 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)phenyl]-(3-bromo-2,6-difluorophenyl)methanone is sourced from PubChem (CID 106944059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).