2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol

C19H25NO3S — CID 14676134

IUPAC2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol
SMILESCOc1ccccc1OCCNCC(O)c1ccc(C)c(SC)c1
InChIInChI=1S/C19H25NO3S/c1-14-8-9-15(12-19(14)24-3)16(21)13-20-10-11-23-18-7-5-4-6-17(18)22-2/h4-9,12,16,20-21H,10-11,13H2,1-3H3
InChIKeyNDUNPUHYIMIFNM-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.43
Rot. Bonds9

About 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol

2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol (PubChem CID 14676134) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol
PubChem CID14676134
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol
SMILESCOc1ccccc1OCCNCC(O)c1ccc(C)c(SC)c1
InChIInChI=1S/C19H25NO3S/c1-14-8-9-15(12-19(14)24-3)16(21)13-20-10-11-23-18-7-5-4-6-17(18)22-2/h4-9,12,16,20-21H,10-11,13H2,1-3H3
InChIKeyNDUNPUHYIMIFNM-UHFFFAOYSA-N
XLogP3.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
CID 23615563
methyl 5-[1-hydroxy-2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfinate;oxalic acid
CID 14676137
2-[2-(2-methoxyphenoxy)ethylamino]-1-thiophen-3-ylethanol
CID 106435231
1-[2-(2-methoxyphenoxy)ethylamino]-4-methylpentan-2-ol
CID 107152431
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropan-1-amine;hydrochloride
CID 117067322
2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propanamide
CID 106174794
1-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylamino]ethanol
CID 10851837
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-propoxypropan-2-ol
CID 125487777
methyl 2-iodo-3-[2-(2-methoxyphenoxy)ethylamino]propanoate
CID 103492017
1-(4-chloro-3-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 79699447
1-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethylamino)ethanol
CID 65026713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol (CID 14676134) is 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol is COc1ccccc1OCCNCC(O)c1ccc(C)c(SC)c1.
What is the InChIKey of 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol?
The InChIKey is NDUNPUHYIMIFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-14-8-9-15(12-19(14)24-3)16(21)13-20-10-11-23-18-7-5-4-6-17(18)22-2/h4-9,12,16,20-21H,10-11,13H2,1-3H3.
What are the key properties of 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol?
2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol has a molecular weight of 347.48 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenoxy)ethylamino]-1-(4-methyl-3-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 14676134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).