1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

C15H18BrFN2S — CID 62980007

IUPAC1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C(CN)c1ccc(Br)s1
InChIInChI=1S/C15H18BrFN2S/c1-10(11-5-3-4-6-12(11)17)19(2)13(9-18)14-7-8-15(16)20-14/h3-8,10,13H,9,18H2,1-2H3
InChIKeyPZHUGVIOKYRBRM-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.34
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine

1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (PubChem CID 62980007) has the molecular formula C15H18BrFN2S and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
PubChem CID62980007
Molecular FormulaC15H18BrFN2S
Molecular Weight357.29 g/mol
Exact Mass356.04
IUPAC Name1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C(CN)c1ccc(Br)s1
InChIInChI=1S/C15H18BrFN2S/c1-10(11-5-3-4-6-12(11)17)19(2)13(9-18)14-7-8-15(16)20-14/h3-8,10,13H,9,18H2,1-2H3
InChIKeyPZHUGVIOKYRBRM-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine (CID 62980007) is 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is CC(c1ccccc1F)N(C)C(CN)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is PZHUGVIOKYRBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2S/c1-10(11-5-3-4-6-12(11)17)19(2)13(9-18)14-7-8-15(16)20-14/h3-8,10,13H,9,18H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine?
1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 357.29 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 62980007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).