3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol

C13H14INOS — CID 79692334

IUPAC3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1csc(I)c1
InChIInChI=1S/C13H14INOS/c14-12-6-10(8-17-12)13(16)11(7-15)9-4-2-1-3-5-9/h1-6,8,11,13,16H,7,15H2
InChIKeyHRDXUKSHLUTYMH-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.13
Rot. Bonds4

About 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol

3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol (PubChem CID 79692334) has the molecular formula C13H14INOS and a molecular weight of 359.23 g/mol. Its IUPAC name is 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol
PubChem CID79692334
Molecular FormulaC13H14INOS
Molecular Weight359.23 g/mol
Exact Mass358.98
IUPAC Name3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol
SMILESNCC(c1ccccc1)C(O)c1csc(I)c1
InChIInChI=1S/C13H14INOS/c14-12-6-10(8-17-12)13(16)11(7-15)9-4-2-1-3-5-9/h1-6,8,11,13,16H,7,15H2
InChIKeyHRDXUKSHLUTYMH-UHFFFAOYSA-N
XLogP3.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol (CID 79692334) is 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol is NCC(c1ccccc1)C(O)c1csc(I)c1.
What is the InChIKey of 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol?
The InChIKey is HRDXUKSHLUTYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INOS/c14-12-6-10(8-17-12)13(16)11(7-15)9-4-2-1-3-5-9/h1-6,8,11,13,16H,7,15H2.
What are the key properties of 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol?
3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol has a molecular weight of 359.23 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-iodothiophen-3-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 79692334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).