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

C15H17Br2NOS — CID 43493518

IUPACN-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(Br)ccc1OCC
InChIInChI=1S/C15H17Br2NOS/c1-3-18-15(13-7-8-14(17)20-13)11-9-10(16)5-6-12(11)19-4-2/h5-9,15,18H,3-4H2,1-2H3
InChIKeySWPLHNRRUAEGOM-UHFFFAOYSA-N
MW419.18 g/mol
LogP5.37
Rot. Bonds6

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

N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 43493518) has the molecular formula C15H17Br2NOS and a molecular weight of 419.18 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
PubChem CID43493518
Molecular FormulaC15H17Br2NOS
Molecular Weight419.18 g/mol
Exact Mass416.94
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)c1cc(Br)ccc1OCC
InChIInChI=1S/C15H17Br2NOS/c1-3-18-15(13-7-8-14(17)20-13)11-9-10(16)5-6-12(11)19-4-2/h5-9,15,18H,3-4H2,1-2H3
InChIKeySWPLHNRRUAEGOM-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.18
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)-(5-bromothiophen-2-yl)methyl]ethanamine
CID 61104179
2-bromo-5-[(5-bromo-2-ethoxyphenyl)-chloromethyl]thiophene
CID 63434185
N-[(5-bromothiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 43492175
N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
CID 43493559
N-[(5-bromo-2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79972309
N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490698
N-[(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methyl]ethanamine
CID 43493554
N-[(5-bromo-2-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43493535
1-(5-bromo-2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43493527
1-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 4689029
N-[(5-bromo-2-ethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 103400860
N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43489620

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine (CID 43493518) is N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)s1)c1cc(Br)ccc1OCC.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is SWPLHNRRUAEGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NOS/c1-3-18-15(13-7-8-14(17)20-13)11-9-10(16)5-6-12(11)19-4-2/h5-9,15,18H,3-4H2,1-2H3.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine?
N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine has a molecular weight of 419.18 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43493518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).