4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline

C14H15Br2NS — CID 107354261

IUPAC4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(C)c1cc(Br)cs1
InChIInChI=1S/C14H15Br2NS/c1-8-4-11(15)5-9(2)14(8)17-10(3)13-6-12(16)7-18-13/h4-7,10,17H,1-3H3
InChIKeyUEQDFOGPOAVDHA-UHFFFAOYSA-N
MW389.16 g/mol
LogP6.06
Rot. Bonds3

About 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline

4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline (PubChem CID 107354261) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline
PubChem CID107354261
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NC(C)c1cc(Br)cs1
InChIInChI=1S/C14H15Br2NS/c1-8-4-11(15)5-9(2)14(8)17-10(3)13-6-12(16)7-18-13/h4-7,10,17H,1-3H3
InChIKeyUEQDFOGPOAVDHA-UHFFFAOYSA-N
XLogP6.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-difluoro-3-methylaniline
CID 107354512
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[1-(4-bromothiophen-2-yl)ethyl]-5-iodo-2-methylaniline
CID 114257070
N-[1-(4-bromothiophen-2-yl)ethyl]-4-fluoro-3-methylaniline
CID 107354369
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 107354244
1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107354447
3-(4-bromo-2,6-dimethylanilino)-2-methylbutan-2-ol
CID 65337462
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
1-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 107167432
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 107353846
N-[1-(4-bromothiophen-2-yl)ethyl]-1H-pyrazol-4-amine
CID 107353952

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline (CID 107354261) is 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NC(C)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline?
The InChIKey is UEQDFOGPOAVDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-8-4-11(15)5-9(2)14(8)17-10(3)13-6-12(16)7-18-13/h4-7,10,17H,1-3H3.
What are the key properties of 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline?
4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline has a molecular weight of 389.16 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-dimethylaniline is sourced from PubChem (CID 107354261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).