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

C13H23NOS — CID 24713261

IUPAC1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(CN(CC(C)C)CC(C)O)s1
InChIInChI=1S/C13H23NOS/c1-10(2)7-14(8-11(3)15)9-13-6-5-12(4)16-13/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyZNGNRVCOUZETSK-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.90
Rot. Bonds6

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

1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol (PubChem CID 24713261) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
PubChem CID24713261
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
SMILESCc1ccc(CN(CC(C)C)CC(C)O)s1
InChIInChI=1S/C13H23NOS/c1-10(2)7-14(8-11(3)15)9-13-6-5-12(4)16-13/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyZNGNRVCOUZETSK-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol (CID 24713261) is 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol is Cc1ccc(CN(CC(C)C)CC(C)O)s1.
What is the InChIKey of 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
The InChIKey is ZNGNRVCOUZETSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-10(2)7-14(8-11(3)15)9-13-6-5-12(4)16-13/h5-6,10-11,15H,7-9H2,1-4H3.
What are the key properties of 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol?
1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol has a molecular weight of 241.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 24713261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).