N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine

C13H12Br2FNS — CID 61104179

IUPACN-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(Br)ccc1F
InChIInChI=1S/C13H12Br2FNS/c1-2-17-13(11-5-6-12(15)18-11)9-7-8(14)3-4-10(9)16/h3-7,13,17H,2H2,1H3
InChIKeyVYRNELGTMXLNMZ-UHFFFAOYSA-N
MW393.12 g/mol
LogP5.11
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine

N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 61104179) has the molecular formula C13H12Br2FNS and a molecular weight of 393.12 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
PubChem CID61104179
Molecular FormulaC13H12Br2FNS
Molecular Weight393.12 g/mol
Exact Mass390.90
IUPAC NameN-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(Br)ccc1F
InChIInChI=1S/C13H12Br2FNS/c1-2-17-13(11-5-6-12(15)18-11)9-7-8(14)3-4-10(9)16/h3-7,13,17H,2H2,1H3
InChIKeyVYRNELGTMXLNMZ-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.12
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-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

N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503607
N-[(5-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]ethanamine
CID 79724246
N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 43493518
N-[(4-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 63503772
N-[(5-bromo-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490176
N-[(5-bromothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 61103404
N-[(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105167406
N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492175
N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43489620
N-[(5-chloro-2-fluorophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488147
N-[(2-fluoro-5-methylphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 62515682
N-[(5-bromo-2-fluorophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 114894890

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine (CID 61104179) is N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)s1)c1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is VYRNELGTMXLNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2FNS/c1-2-17-13(11-5-6-12(15)18-11)9-7-8(14)3-4-10(9)16/h3-7,13,17H,2H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine?
N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine has a molecular weight of 393.12 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 61104179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).