4-[(5-methylthiophen-2-yl)methylamino]phenol

C12H13NOS — CID 935357

IUPAC4-[(5-methylthiophen-2-yl)methylamino]phenol
SMILESCc1ccc(CNc2ccc(O)cc2)s1
InChIInChI=1S/C12H13NOS/c1-9-2-7-12(15-9)8-13-10-3-5-11(14)6-4-10/h2-7,13-14H,8H2,1H3
InChIKeyNPTNABJNNRGKSA-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.37
Rot. Bonds3

About 4-[(5-methylthiophen-2-yl)methylamino]phenol

4-[(5-methylthiophen-2-yl)methylamino]phenol (PubChem CID 935357) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-[(5-methylthiophen-2-yl)methylamino]phenol.

Molecular Properties

Compound Name4-[(5-methylthiophen-2-yl)methylamino]phenol
PubChem CID935357
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-[(5-methylthiophen-2-yl)methylamino]phenol
SMILESCc1ccc(CNc2ccc(O)cc2)s1
InChIInChI=1S/C12H13NOS/c1-9-2-7-12(15-9)8-13-10-3-5-11(14)6-4-10/h2-7,13-14H,8H2,1H3
InChIKeyNPTNABJNNRGKSA-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylthiophen-2-yl)methylamino]phenol?
The IUPAC name of 4-[(5-methylthiophen-2-yl)methylamino]phenol (CID 935357) is 4-[(5-methylthiophen-2-yl)methylamino]phenol.
What is the SMILES notation for 4-[(5-methylthiophen-2-yl)methylamino]phenol?
The canonical SMILES for 4-[(5-methylthiophen-2-yl)methylamino]phenol is Cc1ccc(CNc2ccc(O)cc2)s1.
What is the InChIKey of 4-[(5-methylthiophen-2-yl)methylamino]phenol?
The InChIKey is NPTNABJNNRGKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-2-7-12(15-9)8-13-10-3-5-11(14)6-4-10/h2-7,13-14H,8H2,1H3.
What are the key properties of 4-[(5-methylthiophen-2-yl)methylamino]phenol?
4-[(5-methylthiophen-2-yl)methylamino]phenol has a molecular weight of 219.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylthiophen-2-yl)methylamino]phenol is sourced from PubChem (CID 935357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).