1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol

C15H19NOS — CID 78956096

IUPAC1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol
SMILESCc1ccsc1CNCC(C)(O)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-12-8-9-18-14(12)10-16-11-15(2,17)13-6-4-3-5-7-13/h3-9,16-17H,10-11H2,1-2H3
InChIKeyWSRAMLVOFYGJPL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.05
Rot. Bonds5

About 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol

1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol (PubChem CID 78956096) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol
PubChem CID78956096
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol
SMILESCc1ccsc1CNCC(C)(O)c1ccccc1
InChIInChI=1S/C15H19NOS/c1-12-8-9-18-14(12)10-16-11-15(2,17)13-6-4-3-5-7-13/h3-9,16-17H,10-11H2,1-2H3
InChIKeyWSRAMLVOFYGJPL-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol (CID 78956096) is 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol is Cc1ccsc1CNCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol?
The InChIKey is WSRAMLVOFYGJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12-8-9-18-14(12)10-16-11-15(2,17)13-6-4-3-5-7-13/h3-9,16-17H,10-11H2,1-2H3.
What are the key properties of 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol?
1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol has a molecular weight of 261.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 78956096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).