4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol

C15H13NOS2 — CID 43790423

IUPAC4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol
SMILESOc1ccc(NCc2cc(-c3cccs3)cs2)cc1
InChIInChI=1S/C15H13NOS2/c17-13-5-3-12(4-6-13)16-9-14-8-11(10-19-14)15-2-1-7-18-15/h1-8,10,16-17H,9H2
InChIKeyFNTYLCGBAZIEFB-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.79
Rot. Bonds4

About 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol

4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol (PubChem CID 43790423) has the molecular formula C15H13NOS2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol
PubChem CID43790423
Molecular FormulaC15H13NOS2
Molecular Weight287.41 g/mol
Exact Mass287.04
IUPAC Name4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol
SMILESOc1ccc(NCc2cc(-c3cccs3)cs2)cc1
InChIInChI=1S/C15H13NOS2/c17-13-5-3-12(4-6-13)16-9-14-8-11(10-19-14)15-2-1-7-18-15/h1-8,10,16-17H,9H2
InChIKeyFNTYLCGBAZIEFB-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43766039
4-N,4-N-dimethyl-1-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 43778754
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-1,3-benzothiazol-6-amine
CID 107804063
4-bromo-3-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 82859876
N-[(4-thiophen-2-ylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43788599
3-fluoro-4-methoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43775928
2,3,4-trifluoro-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43759563
2-chloro-4-iodo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43788820
6-[(4-thiophen-2-ylthiophen-2-yl)methylamino]hexan-1-ol
CID 103924165
5-[(4-thiophen-2-ylthiophen-2-yl)methylamino]pentan-1-ol
CID 107302865
4-fluoro-2-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]aniline
CID 43764932
1-methyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]pyrazol-3-amine
CID 60809961

Frequently Asked Questions

What is the IUPAC name of 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol?
The IUPAC name of 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol (CID 43790423) is 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol.
What is the SMILES notation for 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol?
The canonical SMILES for 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol is Oc1ccc(NCc2cc(-c3cccs3)cs2)cc1.
What is the InChIKey of 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol?
The InChIKey is FNTYLCGBAZIEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS2/c17-13-5-3-12(4-6-13)16-9-14-8-11(10-19-14)15-2-1-7-18-15/h1-8,10,16-17H,9H2.
What are the key properties of 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol?
4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol has a molecular weight of 287.41 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-thiophen-2-ylthiophen-2-yl)methylamino]phenol is sourced from PubChem (CID 43790423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).