4-phenyl-N-(thiophen-3-ylmethyl)aniline

C17H15NS — CID 43716853

IUPAC4-phenyl-N-(thiophen-3-ylmethyl)aniline
SMILESc1ccc(-c2ccc(NCc3ccsc3)cc2)cc1
InChIInChI=1S/C17H15NS/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18-12-14-10-11-19-13-14/h1-11,13,18H,12H2
InChIKeyWHDOZKWOUWBSNE-UHFFFAOYSA-N
MW265.38 g/mol
LogP5.03
Rot. Bonds4

About 4-phenyl-N-(thiophen-3-ylmethyl)aniline

4-phenyl-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43716853) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-phenyl-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-(thiophen-3-ylmethyl)aniline
PubChem CID43716853
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name4-phenyl-N-(thiophen-3-ylmethyl)aniline
SMILESc1ccc(-c2ccc(NCc3ccsc3)cc2)cc1
InChIInChI=1S/C17H15NS/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18-12-14-10-11-19-13-14/h1-11,13,18H,12H2
InChIKeyWHDOZKWOUWBSNE-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.38
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-(thiophen-3-ylmethyl)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

4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
CID 65025400
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43722426
4-(difluoromethylsulfanyl)-N-(thiophen-3-ylmethyl)aniline
CID 43673080
N-benzyl-N-methyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 42852740
N-(thiophen-3-ylmethyl)-9H-fluoren-2-amine
CID 22663948
4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline
CID 43715642
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
N,N-dimethyl-4-(thiophen-3-ylmethylamino)benzamide
CID 43681971
3-[4-(4-phenylphenyl)phenyl]thiophene
CID 102231125
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754
4-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 63247673

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-phenyl-N-(thiophen-3-ylmethyl)aniline (CID 43716853) is 4-phenyl-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-phenyl-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-phenyl-N-(thiophen-3-ylmethyl)aniline is c1ccc(-c2ccc(NCc3ccsc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is WHDOZKWOUWBSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18-12-14-10-11-19-13-14/h1-11,13,18H,12H2.
What are the key properties of 4-phenyl-N-(thiophen-3-ylmethyl)aniline?
4-phenyl-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 265.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43716853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).