N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline

C14H16BrNO2S — CID 54898292

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Br)s2)cc(OC)c1
InChIInChI=1S/C14H16BrNO2S/c1-9(13-4-5-14(15)19-13)16-10-6-11(17-2)8-12(7-10)18-3/h4-9,16H,1-3H3
InChIKeyAVEKRGLPFIZJDQ-UHFFFAOYSA-N
MW342.26 g/mol
LogP4.70
Rot. Bonds5

About N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline

N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline (PubChem CID 54898292) has the molecular formula C14H16BrNO2S and a molecular weight of 342.26 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
PubChem CID54898292
Molecular FormulaC14H16BrNO2S
Molecular Weight342.26 g/mol
Exact Mass341.01
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NC(C)c2ccc(Br)s2)cc(OC)c1
InChIInChI=1S/C14H16BrNO2S/c1-9(13-4-5-14(15)19-13)16-10-6-11(17-2)8-12(7-10)18-3/h4-9,16H,1-3H3
InChIKeyAVEKRGLPFIZJDQ-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-(5-bromothiophen-2-yl)ethyl]-3,5-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-(5-chlorothiophen-2-yl)ethyl]-3,5-dimethoxyaniline
CID 43438960
3-bromo-5-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82858085
3-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methoxyaniline
CID 82858247
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dichloroaniline
CID 63422945
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
N-[1-(5-bromothiophen-2-yl)ethyl]-4-chloro-3-methoxyaniline
CID 107621272
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 63419250
3-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43196418
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methoxyaniline
CID 61333163
3-bromo-N-[1-(4-bromophenyl)ethyl]-5-methoxyaniline
CID 82858148
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,5-dimethoxyaniline
CID 82964704
2-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenoxy]-N-methylacetamide
CID 60999483

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline (CID 54898292) is N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline is COc1cc(NC(C)c2ccc(Br)s2)cc(OC)c1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline?
The InChIKey is AVEKRGLPFIZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S/c1-9(13-4-5-14(15)19-13)16-10-6-11(17-2)8-12(7-10)18-3/h4-9,16H,1-3H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline?
N-[1-(5-bromothiophen-2-yl)ethyl]-3,5-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-(5-bromothiophen-2-yl)ethyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 54898292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).