4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline

C15H18BrNS — CID 81292299

IUPAC4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2ccc(Br)cc2CC)s1
InChIInChI=1S/C15H18BrNS/c1-3-11-9-12(16)5-8-15(11)17-10-14-7-6-13(4-2)18-14/h5-9,17H,3-4,10H2,1-2H3
InChIKeyHPVHARJDCGSKKJ-UHFFFAOYSA-N
MW324.29 g/mol
LogP5.25
Rot. Bonds5

About 4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline

4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline (PubChem CID 81292299) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
PubChem CID81292299
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
SMILESCCc1ccc(CNc2ccc(Br)cc2CC)s1
InChIInChI=1S/C15H18BrNS/c1-3-11-9-12(16)5-8-15(11)17-10-14-7-6-13(4-2)18-14/h5-9,17H,3-4,10H2,1-2H3
InChIKeyHPVHARJDCGSKKJ-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.29
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[(5-ethylthiophen-2-yl)methyl]naphthalen-2-amine
CID 81260087
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
N-(4-bromo-2-ethylphenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106073390
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
4-bromo-2-ethyl-N-prop-2-ynylaniline
CID 80979330
4-bromo-N-butyl-2-ethylaniline
CID 81291753
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 28993341
methyl 2-[5-[(5-bromo-2-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887609
5-bromo-2-[[(5-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 114137152
N-[(5-ethylthiophen-2-yl)methyl]-4-iodo-2-methylaniline
CID 63440748
2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62344823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline (CID 81292299) is 4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline is CCc1ccc(CNc2ccc(Br)cc2CC)s1.
What is the InChIKey of 4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline?
The InChIKey is HPVHARJDCGSKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-3-11-9-12(16)5-8-15(11)17-10-14-7-6-13(4-2)18-14/h5-9,17H,3-4,10H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline?
4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline has a molecular weight of 324.29 g/mol, XLogP of 5.25, 5 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-[(5-ethylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 81292299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).