[2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol

C19H25NO2S — CID 47000020

IUPAC[2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol
SMILESCOc1ccc(CN(C)CCSc2ccc(C)cc2)cc1CO
InChIInChI=1S/C19H25NO2S/c1-15-4-7-18(8-5-15)23-11-10-20(2)13-16-6-9-19(22-3)17(12-16)14-21/h4-9,12,21H,10-11,13-14H2,1-3H3
InChIKeyATDZRPUXULVABJ-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.72
Rot. Bonds8

About [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol

[2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol (PubChem CID 47000020) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol
PubChem CID47000020
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name[2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol
SMILESCOc1ccc(CN(C)CCSc2ccc(C)cc2)cc1CO
InChIInChI=1S/C19H25NO2S/c1-15-4-7-18(8-5-15)23-11-10-20(2)13-16-6-9-19(22-3)17(12-16)14-21/h4-9,12,21H,10-11,13-14H2,1-3H3
InChIKeyATDZRPUXULVABJ-UHFFFAOYSA-N
XLogP3.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
[3-[[benzyl(methyl)amino]methyl]-4-methoxyphenyl]methanol
CID 62019327
2-(2,5-dimethoxyphenyl)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 78811294
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135387
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205912
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
2-methoxy-N-methyl-N-[(4-methylphenyl)methyl]ethanamine
CID 22951575
2-methoxy-5-[[methyl(2-methylsulfanylethyl)amino]methyl]benzenecarboximidamide
CID 112660240

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol?
The IUPAC name of [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol (CID 47000020) is [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol?
The canonical SMILES for [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol is COc1ccc(CN(C)CCSc2ccc(C)cc2)cc1CO.
What is the InChIKey of [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol?
The InChIKey is ATDZRPUXULVABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-15-4-7-18(8-5-15)23-11-10-20(2)13-16-6-9-19(22-3)17(12-16)14-21/h4-9,12,21H,10-11,13-14H2,1-3H3.
What are the key properties of [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol?
[2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol has a molecular weight of 331.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[[methyl-[2-(4-methylphenyl)sulfanylethyl]amino]methyl]phenyl]methanol is sourced from PubChem (CID 47000020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).