3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline

C13H14ClNOS — CID 43191617

IUPAC3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
SMILESCOc1ccc(NC(C)c2cccs2)cc1Cl
InChIInChI=1S/C13H14ClNOS/c1-9(13-4-3-7-17-13)15-10-5-6-12(16-2)11(14)8-10/h3-9,15H,1-2H3
InChIKeyBDVNCWQJPOFFHB-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.58
Rot. Bonds4

About 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline

3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43191617) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43191617
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
SMILESCOc1ccc(NC(C)c2cccs2)cc1Cl
InChIInChI=1S/C13H14ClNOS/c1-9(13-4-3-7-17-13)15-10-5-6-12(16-2)11(14)8-10/h3-9,15H,1-2H3
InChIKeyBDVNCWQJPOFFHB-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)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

3-chloro-4-propan-2-yloxy-N-(1-thiophen-2-ylethyl)aniline
CID 43727172
3-chloro-N-[1-(2-chlorophenyl)ethyl]-4-methoxyaniline
CID 43079492
methyl 2-[2-chloro-4-(1-thiophen-2-ylethylamino)phenyl]acetate
CID 90773557
4-chloro-3-methoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 107621215
2-(3-chloro-4-methoxyanilino)-1-thiophen-2-ylethanol
CID 60897079
4-chloro-N-(dithiophen-2-ylmethyl)-3-methoxyaniline
CID 107621004
3-chloro-4-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758115
3,5-dimethoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43192817
3,4-dimethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43760000
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methoxyaniline
CID 43103753
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline (CID 43191617) is 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline is COc1ccc(NC(C)c2cccs2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is BDVNCWQJPOFFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-9(13-4-3-7-17-13)15-10-5-6-12(16-2)11(14)8-10/h3-9,15H,1-2H3.
What are the key properties of 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline?
3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 267.78 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43191617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).