1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine

C14H14BrCl2NS — CID 63422466

IUPAC1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Cl)cc1Cl)c1ccc(Br)s1
InChIInChI=1S/C14H14BrCl2NS/c1-9(13-4-5-14(15)19-13)18-7-6-10-2-3-11(16)8-12(10)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeyDLQROBPPBDIKQL-UHFFFAOYSA-N
MW379.15 g/mol
LogP5.71
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine

1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine (PubChem CID 63422466) has the molecular formula C14H14BrCl2NS and a molecular weight of 379.15 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
PubChem CID63422466
Molecular FormulaC14H14BrCl2NS
Molecular Weight379.15 g/mol
Exact Mass376.94
IUPAC Name1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Cl)cc1Cl)c1ccc(Br)s1
InChIInChI=1S/C14H14BrCl2NS/c1-9(13-4-5-14(15)19-13)18-7-6-10-2-3-11(16)8-12(10)17/h2-5,8-9,18H,6-7H2,1H3
InChIKeyDLQROBPPBDIKQL-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.15
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763036
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine
CID 43102822
5-[1-[2-(2,4-dichlorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107704995
[1-(5-bromothiophen-2-yl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105222238
N-[2-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 28532239
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625293
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43099502
(1R)-1-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 93424951
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282
(2R)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784283

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine (CID 63422466) is 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine is CC(NCCc1ccc(Cl)cc1Cl)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine?
The InChIKey is DLQROBPPBDIKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NS/c1-9(13-4-5-14(15)19-13)18-7-6-10-2-3-11(16)8-12(10)17/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine?
1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine has a molecular weight of 379.15 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[2-(2,4-dichlorophenyl)ethyl]ethanamine is sourced from PubChem (CID 63422466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).