1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine

C15H17BrFNS — CID 82962799

IUPAC1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccsc1CNC(C)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFNS/c1-3-11-6-7-19-15(11)9-18-10(2)13-8-12(16)4-5-14(13)17/h4-8,10,18H,3,9H2,1-2H3
InChIKeyVEMMZHDXUPQVJM-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.06
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine

1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 82962799) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID82962799
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCc1ccsc1CNC(C)c1cc(Br)ccc1F
InChIInChI=1S/C15H17BrFNS/c1-3-11-6-7-19-15(11)9-18-10(2)13-8-12(16)4-5-14(13)17/h4-8,10,18H,3,9H2,1-2H3
InChIKeyVEMMZHDXUPQVJM-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine 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-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
1-(5-bromo-2-fluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81301866
1-(5-bromo-2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 82963734
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 82963868
2-[1-(5-bromo-2-fluorophenyl)ethylamino]acetic acid
CID 82964590
1-(5-bromo-2-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82962734
1-[1-(5-bromo-2-fluorophenyl)ethylamino]propan-2-ol
CID 81307148
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 81302054
1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82964641
N-[2-[1-(5-bromo-2-fluorophenyl)ethylamino]ethyl]methanesulfonamide
CID 81333212
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 81339461
1-(5-bromo-2-fluorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 112668618

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine (CID 82962799) is 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine is CCc1ccsc1CNC(C)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is VEMMZHDXUPQVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-3-11-6-7-19-15(11)9-18-10(2)13-8-12(16)4-5-14(13)17/h4-8,10,18H,3,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine?
1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 342.28 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[(3-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 82962799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).