4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline

C18H17NOS — CID 61019202

IUPAC4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H17NOS/c1-20-17-9-7-16(8-10-17)19-12-18-11-15(13-21-18)14-5-3-2-4-6-14/h2-11,13,19H,12H2,1H3
InChIKeyCRIPLBHFULPTRV-UHFFFAOYSA-N
MW295.41 g/mol
LogP5.04
Rot. Bonds5

About 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline

4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline (PubChem CID 61019202) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
PubChem CID61019202
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
SMILESCOc1ccc(NCc2cc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C18H17NOS/c1-20-17-9-7-16(8-10-17)19-12-18-11-15(13-21-18)14-5-3-2-4-6-14/h2-11,13,19H,12H2,1H3
InChIKeyCRIPLBHFULPTRV-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.41
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]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-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 61019201
4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43766039
1-methyl-5-[(4-phenylthiophen-2-yl)methylamino]pyridin-2-one
CID 61017248
3-amino-N-[[4-(4-methoxyphenyl)thiophen-2-yl]methyl]propanamide
CID 119343360
4-methoxy-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760158
4-methoxy-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 63476524
3,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]butan-2-amine
CID 104827818
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-bromo-3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 82859876
3-fluoro-4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43775928
methyl 2-[(4-phenylthiophen-2-yl)methylamino]propanoate
CID 61018262
5-fluoro-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63422974

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline?
The IUPAC name of 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline (CID 61019202) is 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline is COc1ccc(NCc2cc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline?
The InChIKey is CRIPLBHFULPTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-20-17-9-7-16(8-10-17)19-12-18-11-15(13-21-18)14-5-3-2-4-6-14/h2-11,13,19H,12H2,1H3.
What are the key properties of 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline?
4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline has a molecular weight of 295.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-phenylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 61019202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).