N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline

C14H16BrNO2S — CID 107167769

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C14H16BrNO2S/c1-9(14-6-10(15)8-19-14)16-12-7-11(17-2)4-5-13(12)18-3/h4-9,16H,1-3H3
InChIKeyMMYITRHLIKDTDM-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.70
Rot. Bonds5

About N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline

N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline (PubChem CID 107167769) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
PubChem CID107167769
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2cc(Br)cs2)c1
InChIInChI=1S/C14H16BrNO2S/c1-9(14-6-10(15)8-19-14)16-12-7-11(17-2)4-5-13(12)18-3/h4-9,16H,1-3H3
InChIKeyMMYITRHLIKDTDM-UHFFFAOYSA-N
XLogP4.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 107353986
N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
CID 43192925
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240
(1R)-N-[1-(4-bromothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 107354466
1-(3-bromo-4-methoxyphenyl)-N-[1-(4-bromothiophen-2-yl)ethyl]ethanamine
CID 107354175
methyl 2-(2,5-dimethoxyanilino)propanoate
CID 54941046
1-(4-bromothiophen-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 107167096
N-[1-(4-bromothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 107354018
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
CID 43121263
1-(4-bromothiophen-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 107167168
N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
2-(difluoromethoxy)-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43699655

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline (CID 107167769) is N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NC(C)c2cc(Br)cs2)c1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline?
The InChIKey is MMYITRHLIKDTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-9(14-6-10(15)8-19-14)16-12-7-11(17-2)4-5-13(12)18-3/h4-9,16H,1-3H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline?
N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline has a molecular weight of 342.26 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 107167769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).