4-[(thiophen-2-ylmethylamino)methyl]phenol

C12H13NOS — CID 677150

IUPAC4-[(thiophen-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2
InChIKeyDIFCPBCZKFGYPB-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.74
Rot. Bonds4

About 4-[(thiophen-2-ylmethylamino)methyl]phenol

4-[(thiophen-2-ylmethylamino)methyl]phenol (PubChem CID 677150) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-[(thiophen-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(thiophen-2-ylmethylamino)methyl]phenol
PubChem CID677150
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-[(thiophen-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(CNCc2cccs2)cc1
InChIInChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2
InChIKeyDIFCPBCZKFGYPB-UHFFFAOYSA-N
XLogP2.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(thiophen-2-ylmethylamino)methyl]phenol?
The IUPAC name of 4-[(thiophen-2-ylmethylamino)methyl]phenol (CID 677150) is 4-[(thiophen-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-[(thiophen-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-[(thiophen-2-ylmethylamino)methyl]phenol is Oc1ccc(CNCc2cccs2)cc1.
What is the InChIKey of 4-[(thiophen-2-ylmethylamino)methyl]phenol?
The InChIKey is DIFCPBCZKFGYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2.
What are the key properties of 4-[(thiophen-2-ylmethylamino)methyl]phenol?
4-[(thiophen-2-ylmethylamino)methyl]phenol has a molecular weight of 219.31 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(thiophen-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 677150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).