3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

C16H20BrNOS — CID 61166779

IUPAC3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCOCc1c(Br)cccc1NC(c1cccs1)C(C)C
InChIInChI=1S/C16H20BrNOS/c1-11(2)16(15-8-5-9-20-15)18-14-7-4-6-13(17)12(14)10-19-3/h4-9,11,16,18H,10H2,1-3H3
InChIKeyBHFPJPYYAXZAEV-UHFFFAOYSA-N
MW354.31 g/mol
LogP5.47
Rot. Bonds6

About 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline

3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (PubChem CID 61166779) has the molecular formula C16H20BrNOS and a molecular weight of 354.31 g/mol. Its IUPAC name is 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.

Molecular Properties

Compound Name3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
PubChem CID61166779
Molecular FormulaC16H20BrNOS
Molecular Weight354.31 g/mol
Exact Mass353.04
IUPAC Name3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
SMILESCOCc1c(Br)cccc1NC(c1cccs1)C(C)C
InChIInChI=1S/C16H20BrNOS/c1-11(2)16(15-8-5-9-20-15)18-14-7-4-6-13(17)12(14)10-19-3/h4-9,11,16,18H,10H2,1-3H3
InChIKeyBHFPJPYYAXZAEV-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.31
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline 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

2-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43762617
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-(methoxymethyl)aniline
CID 63452354
5-[1-[3-bromo-2-(methoxymethyl)anilino]ethyl]benzene-1,3-diol
CID 107706265
3-bromo-N-[1-(2-chlorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 63452786
2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43792087
3-bromo-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-(methoxymethyl)aniline
CID 61166968
3-bromo-N-(2-methyl-1-thiophen-2-ylpropyl)pyridin-4-amine
CID 104776944
3-bromo-N-heptan-3-yl-2-(methoxymethyl)aniline
CID 63946322
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588
3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114829477
3-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(methoxymethyl)aniline
CID 61167356
3-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 82778375

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The IUPAC name of 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline (CID 61166779) is 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline.
What is the SMILES notation for 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The canonical SMILES for 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is COCc1c(Br)cccc1NC(c1cccs1)C(C)C.
What is the InChIKey of 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
The InChIKey is BHFPJPYYAXZAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNOS/c1-11(2)16(15-8-5-9-20-15)18-14-7-4-6-13(17)12(14)10-19-3/h4-9,11,16,18H,10H2,1-3H3.
What are the key properties of 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline?
3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline has a molecular weight of 354.31 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(methoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline is sourced from PubChem (CID 61166779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).