2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol

C12H21NO2S — CID 115702491

IUPAC2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1ccc(OC)s1
InChIInChI=1S/C12H21NO2S/c1-4-7-12(2,9-14)13-8-10-5-6-11(15-3)16-10/h5-6,13-14H,4,7-9H2,1-3H3
InChIKeyYZLJSJVGVPVMSX-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.40
Rot. Bonds7

About 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol

2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol (PubChem CID 115702491) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol
PubChem CID115702491
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)NCc1ccc(OC)s1
InChIInChI=1S/C12H21NO2S/c1-4-7-12(2,9-14)13-8-10-5-6-11(15-3)16-10/h5-6,13-14H,4,7-9H2,1-3H3
InChIKeyYZLJSJVGVPVMSX-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol?
The IUPAC name of 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol (CID 115702491) is 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol?
The canonical SMILES for 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol is CCCC(C)(CO)NCc1ccc(OC)s1.
What is the InChIKey of 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol?
The InChIKey is YZLJSJVGVPVMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-4-7-12(2,9-14)13-8-10-5-6-11(15-3)16-10/h5-6,13-14H,4,7-9H2,1-3H3.
What are the key properties of 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol?
2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol has a molecular weight of 243.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxythiophen-2-yl)methylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 115702491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).