4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline

C14H16BrNS — CID 81292571

IUPAC4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCCc1cc(Br)ccc1NC(C)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-3-11-9-12(15)6-7-13(11)16-10(2)14-5-4-8-17-14/h4-10,16H,3H2,1-2H3
InChIKeyJYLZEONFCYHXEM-UHFFFAOYSA-N
MW310.26 g/mol
LogP5.25
Rot. Bonds4

About 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline

4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 81292571) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
PubChem CID81292571
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC Name4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCCc1cc(Br)ccc1NC(C)c1cccs1
InChIInChI=1S/C14H16BrNS/c1-3-11-9-12(15)6-7-13(11)16-10(2)14-5-4-8-17-14/h4-10,16H,3H2,1-2H3
InChIKeyJYLZEONFCYHXEM-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.26
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 81287893
5-bromo-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43729607
4-bromo-2-ethyl-N-(1-pyridin-3-ylethyl)aniline
CID 81292604
3-(4-bromo-2-ethylanilino)butan-2-ol
CID 81292425
4-bromo-2-ethyl-N-(5-methylhexan-2-yl)aniline
CID 81291618
4-bromo-2-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 113229716
4-bromo-2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 102675102
2,4-dibromo-N-(1-thiophen-2-ylpropyl)aniline
CID 43683003
4-bromo-N-[1-(4-ethoxyphenyl)ethyl]-2-ethylaniline
CID 81287491
3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43745716
4-bromo-2-ethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 81291827
methyl 2-(4-bromo-2-ethylanilino)propanoate
CID 81291826

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline (CID 81292571) is 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline is CCc1cc(Br)ccc1NC(C)c1cccs1.
What is the InChIKey of 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is JYLZEONFCYHXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-3-11-9-12(15)6-7-13(11)16-10(2)14-5-4-8-17-14/h4-10,16H,3H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline?
4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 310.26 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 81292571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).