1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol

C15H23NOS — CID 107152561

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC1Cc2ccccc2S1
InChIInChI=1S/C15H23NOS/c1-11(2)7-13(17)9-16-10-14-8-12-5-3-4-6-15(12)18-14/h3-6,11,13-14,16-17H,7-10H2,1-2H3
InChIKeyWVZNKKZGQFALKH-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.70
Rot. Bonds6

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol

1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol (PubChem CID 107152561) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
PubChem CID107152561
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNCC1Cc2ccccc2S1
InChIInChI=1S/C15H23NOS/c1-11(2)7-13(17)9-16-10-14-8-12-5-3-4-6-15(12)18-14/h3-6,11,13-14,16-17H,7-10H2,1-2H3
InChIKeyWVZNKKZGQFALKH-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol (CID 107152561) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol is CC(C)CC(O)CNCC1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol?
The InChIKey is WVZNKKZGQFALKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)7-13(17)9-16-10-14-8-12-5-3-4-6-15(12)18-14/h3-6,11,13-14,16-17H,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol?
1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol has a molecular weight of 265.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol is sourced from PubChem (CID 107152561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).