[3-(aminomethyl)thiophen-2-yl]-phenylmethanol

C12H13NOS — CID 56663483

IUPAC[3-(aminomethyl)thiophen-2-yl]-phenylmethanol
SMILESNCc1ccsc1C(O)c1ccccc1
InChIInChI=1S/C12H13NOS/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-7,11,14H,8,13H2
InChIKeyZWRVNGVRWVVOMO-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.29
Rot. Bonds3

About [3-(aminomethyl)thiophen-2-yl]-phenylmethanol

[3-(aminomethyl)thiophen-2-yl]-phenylmethanol (PubChem CID 56663483) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is [3-(aminomethyl)thiophen-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(aminomethyl)thiophen-2-yl]-phenylmethanol
PubChem CID56663483
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name[3-(aminomethyl)thiophen-2-yl]-phenylmethanol
SMILESNCc1ccsc1C(O)c1ccccc1
InChIInChI=1S/C12H13NOS/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-7,11,14H,8,13H2
InChIKeyZWRVNGVRWVVOMO-UHFFFAOYSA-N
XLogP2.29
TPSA46.25 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)thiophen-2-yl]-phenylmethanol?
The IUPAC name of [3-(aminomethyl)thiophen-2-yl]-phenylmethanol (CID 56663483) is [3-(aminomethyl)thiophen-2-yl]-phenylmethanol.
What is the SMILES notation for [3-(aminomethyl)thiophen-2-yl]-phenylmethanol?
The canonical SMILES for [3-(aminomethyl)thiophen-2-yl]-phenylmethanol is NCc1ccsc1C(O)c1ccccc1.
What is the InChIKey of [3-(aminomethyl)thiophen-2-yl]-phenylmethanol?
The InChIKey is ZWRVNGVRWVVOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c13-8-10-6-7-15-12(10)11(14)9-4-2-1-3-5-9/h1-7,11,14H,8,13H2.
What are the key properties of [3-(aminomethyl)thiophen-2-yl]-phenylmethanol?
[3-(aminomethyl)thiophen-2-yl]-phenylmethanol has a molecular weight of 219.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)thiophen-2-yl]-phenylmethanol is sourced from PubChem (CID 56663483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).