2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline

C16H14BrNS2 — CID 43762685

IUPAC2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
SMILESBrc1ccccc1NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C16H14BrNS2/c17-13-6-1-2-7-14(13)18-15(16-8-4-10-20-16)11-12-5-3-9-19-12/h1-10,15,18H,11H2
InChIKeyZNFBKLBNCYHBAQ-UHFFFAOYSA-N
MW364.33 g/mol
LogP5.97
Rot. Bonds5

About 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline

2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline (PubChem CID 43762685) has the molecular formula C16H14BrNS2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
PubChem CID43762685
Molecular FormulaC16H14BrNS2
Molecular Weight364.33 g/mol
Exact Mass362.98
IUPAC Name2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
SMILESBrc1ccccc1NC(Cc1cccs1)c1cccs1
InChIInChI=1S/C16H14BrNS2/c17-13-6-1-2-7-14(13)18-15(16-8-4-10-20-16)11-12-5-3-9-19-12/h1-10,15,18H,11H2
InChIKeyZNFBKLBNCYHBAQ-UHFFFAOYSA-N
XLogP5.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.33
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 43782525
2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 83167757
N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 107648576
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
2-bromo-N-[cyclopropyl(thiophen-2-yl)methyl]aniline
CID 54982930
N-[(4-bromophenyl)methyl]-1,2-dithiophen-2-ylethanamine
CID 60781438
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine
CID 43776937
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline?
The IUPAC name of 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline (CID 43762685) is 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline?
The canonical SMILES for 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline is Brc1ccccc1NC(Cc1cccs1)c1cccs1.
What is the InChIKey of 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline?
The InChIKey is ZNFBKLBNCYHBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNS2/c17-13-6-1-2-7-14(13)18-15(16-8-4-10-20-16)11-12-5-3-9-19-12/h1-10,15,18H,11H2.
What are the key properties of 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline?
2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline has a molecular weight of 364.33 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline is sourced from PubChem (CID 43762685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).