5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol

C17H23NO3S — CID 46984851

IUPAC5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(CCCO)Cc2ccc(C)s2)cc1O
InChIInChI=1S/C17H23NO3S/c1-13-4-6-15(22-13)12-18(8-3-9-19)11-14-5-7-17(21-2)16(20)10-14/h4-7,10,19-20H,3,8-9,11-12H2,1-2H3
InChIKeyYSCQSLMULBIHBT-UHFFFAOYSA-N
MW321.44 g/mol
LogP3.16
Rot. Bonds8

About 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol

5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol (PubChem CID 46984851) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol
PubChem CID46984851
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CN(CCCO)Cc2ccc(C)s2)cc1O
InChIInChI=1S/C17H23NO3S/c1-13-4-6-15(22-13)12-18(8-3-9-19)11-14-5-7-17(21-2)16(20)10-14/h4-7,10,19-20H,3,8-9,11-12H2,1-2H3
InChIKeyYSCQSLMULBIHBT-UHFFFAOYSA-N
XLogP3.16
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methylthiophen-2-yl)methyl-[(4-pyrimidin-2-yloxyphenyl)methyl]amino]propan-1-ol
CID 46996443
3-[2-[2-carboxyethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]propanoic acid
CID 23205610
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(2-hydroxyethyl)-2-methoxyphenol;2-(4-methoxy-3-methylphenyl)ethanol
CID 167594575
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135120698
2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 82978813
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
CID 59297645
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
3-[(5-methylthiophen-2-yl)methyl-[(1-propan-2-ylbenzimidazol-2-yl)methyl]amino]propan-1-ol
CID 46988270
2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 137334924
5-(aminomethyl)-2-methoxyphenol
CID 1132998

Frequently Asked Questions

What is the IUPAC name of 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol (CID 46984851) is 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol is COc1ccc(CN(CCCO)Cc2ccc(C)s2)cc1O.
What is the InChIKey of 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol?
The InChIKey is YSCQSLMULBIHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-13-4-6-15(22-13)12-18(8-3-9-19)11-14-5-7-17(21-2)16(20)10-14/h4-7,10,19-20H,3,8-9,11-12H2,1-2H3.
What are the key properties of 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol?
5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol has a molecular weight of 321.44 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-hydroxypropyl-[(5-methylthiophen-2-yl)methyl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 46984851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).