3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline

C13H14ClNOS — CID 63745442

IUPAC3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline
SMILESNc1cccc(Cl)c1COCCc1cccs1
InChIInChI=1S/C13H14ClNOS/c14-12-4-1-5-13(15)11(12)9-16-7-6-10-3-2-8-17-10/h1-5,8H,6-7,9,15H2
InChIKeyWXGFOKRIIKMNAN-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.74
Rot. Bonds5

About 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline

3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline (PubChem CID 63745442) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline
PubChem CID63745442
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline
SMILESNc1cccc(Cl)c1COCCc1cccs1
InChIInChI=1S/C13H14ClNOS/c14-12-4-1-5-13(15)11(12)9-16-7-6-10-3-2-8-17-10/h1-5,8H,6-7,9,15H2
InChIKeyWXGFOKRIIKMNAN-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]aniline
CID 104560092
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485823
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352768
3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol
CID 18504596
1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 113277151
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
[5-(2-thiophen-2-ylethoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613805
3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine
CID 64571440
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
2-thiophen-2-ylethoxysilane
CID 154346669

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline?
The IUPAC name of 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline (CID 63745442) is 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline.
What is the SMILES notation for 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline?
The canonical SMILES for 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline is Nc1cccc(Cl)c1COCCc1cccs1.
What is the InChIKey of 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline?
The InChIKey is WXGFOKRIIKMNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c14-12-4-1-5-13(15)11(12)9-16-7-6-10-3-2-8-17-10/h1-5,8H,6-7,9,15H2.
What are the key properties of 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline?
3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline has a molecular weight of 267.78 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline is sourced from PubChem (CID 63745442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).