2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol

C13H23NOS — CID 24714219

IUPAC2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol
SMILESCCCN(Cc1ccc(C)s1)CC(C)(C)O
InChIInChI=1S/C13H23NOS/c1-5-8-14(10-13(3,4)15)9-12-7-6-11(2)16-12/h6-7,15H,5,8-10H2,1-4H3
InChIKeyDTTYCEALQSZUFD-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.04
Rot. Bonds6

About 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol

2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol (PubChem CID 24714219) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol
PubChem CID24714219
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol
SMILESCCCN(Cc1ccc(C)s1)CC(C)(C)O
InChIInChI=1S/C13H23NOS/c1-5-8-14(10-13(3,4)15)9-12-7-6-11(2)16-12/h6-7,15H,5,8-10H2,1-4H3
InChIKeyDTTYCEALQSZUFD-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol (CID 24714219) is 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol is CCCN(Cc1ccc(C)s1)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol?
The InChIKey is DTTYCEALQSZUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-8-14(10-13(3,4)15)9-12-7-6-11(2)16-12/h6-7,15H,5,8-10H2,1-4H3.
What are the key properties of 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol?
2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol has a molecular weight of 241.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-methylthiophen-2-yl)methyl-propylamino]propan-2-ol is sourced from PubChem (CID 24714219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).