4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline

C15H19BrN2S — CID 107167179

IUPAC4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCC(NCc1ccc(N(C)C)cc1)c1cc(Br)cs1
InChIInChI=1S/C15H19BrN2S/c1-11(15-8-13(16)10-19-15)17-9-12-4-6-14(7-5-12)18(2)3/h4-8,10-11,17H,9H2,1-3H3
InChIKeyNQFWGKONTDKIIJ-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.43
Rot. Bonds5

About 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline

4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline (PubChem CID 107167179) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
PubChem CID107167179
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
SMILESCC(NCc1ccc(N(C)C)cc1)c1cc(Br)cs1
InChIInChI=1S/C15H19BrN2S/c1-11(15-8-13(16)10-19-15)17-9-12-4-6-14(7-5-12)18(2)3/h4-8,10-11,17H,9H2,1-3H3
InChIKeyNQFWGKONTDKIIJ-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N-methylbenzamide
CID 107167245
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
1-(4-bromothiophen-2-yl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 107354447
4-[[1-(5-ethylthiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61333939
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
1-(4-bromothiophen-2-yl)-N-[[3-(methoxymethyl)phenyl]methyl]ethanamine
CID 107167271
1-N-[1-(4-bromothiophen-2-yl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107353919
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107167308
N,N-dimethyl-4-[[[(1S)-1-phenylethyl]amino]methyl]aniline
CID 961203
N-[1-(4-bromothiophen-2-yl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 107167150
4-[[1-(2,4-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43108017
1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107167584

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline (CID 107167179) is 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline is CC(NCc1ccc(N(C)C)cc1)c1cc(Br)cs1.
What is the InChIKey of 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline?
The InChIKey is NQFWGKONTDKIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-11(15-8-13(16)10-19-15)17-9-12-4-6-14(7-5-12)18(2)3/h4-8,10-11,17H,9H2,1-3H3.
What are the key properties of 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline?
4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline has a molecular weight of 339.30 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]-N,N-dimethylaniline is sourced from PubChem (CID 107167179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).