2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol

C9H15NOS — CID 834070

IUPAC2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESCC(C)(CO)NCc1cccs1
InChIInChI=1S/C9H15NOS/c1-9(2,7-11)10-6-8-4-3-5-12-8/h3-5,10-11H,6-7H2,1-2H3
InChIKeyOIHHTDRRPSXECH-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.61
Rot. Bonds4

About 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol

2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol (PubChem CID 834070) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol
PubChem CID834070
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol
SMILESCC(C)(CO)NCc1cccs1
InChIInChI=1S/C9H15NOS/c1-9(2,7-11)10-6-8-4-3-5-12-8/h3-5,10-11H,6-7H2,1-2H3
InChIKeyOIHHTDRRPSXECH-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol (CID 834070) is 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol is CC(C)(CO)NCc1cccs1.
What is the InChIKey of 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
The InChIKey is OIHHTDRRPSXECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-9(2,7-11)10-6-8-4-3-5-12-8/h3-5,10-11H,6-7H2,1-2H3.
What are the key properties of 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol?
2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thiophen-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 834070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).