2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol

C17H25NO2S — CID 42839404

IUPAC2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol
SMILESCc1ccc(CN(Cc2ccc(C(C)(C)O)o2)C(C)C)s1
InChIInChI=1S/C17H25NO2S/c1-12(2)18(11-15-8-6-13(3)21-15)10-14-7-9-16(20-14)17(4,5)19/h6-9,12,19H,10-11H2,1-5H3
InChIKeyXUWWVKHXFKYQEV-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.29
Rot. Bonds6

About 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol

2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol (PubChem CID 42839404) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol
PubChem CID42839404
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol
SMILESCc1ccc(CN(Cc2ccc(C(C)(C)O)o2)C(C)C)s1
InChIInChI=1S/C17H25NO2S/c1-12(2)18(11-15-8-6-13(3)21-15)10-14-7-9-16(20-14)17(4,5)19/h6-9,12,19H,10-11H2,1-5H3
InChIKeyXUWWVKHXFKYQEV-UHFFFAOYSA-N
XLogP4.29
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol (CID 42839404) is 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol is Cc1ccc(CN(Cc2ccc(C(C)(C)O)o2)C(C)C)s1.
What is the InChIKey of 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol?
The InChIKey is XUWWVKHXFKYQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12(2)18(11-15-8-6-13(3)21-15)10-14-7-9-16(20-14)17(4,5)19/h6-9,12,19H,10-11H2,1-5H3.
What are the key properties of 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol?
2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol has a molecular weight of 307.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]methyl]furan-2-yl]propan-2-ol is sourced from PubChem (CID 42839404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).