1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol

C14H23NO3S — CID 60897868

IUPAC1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
SMILESCCOCCOCC(O)CNc1ccc(SC)cc1
InChIInChI=1S/C14H23NO3S/c1-3-17-8-9-18-11-13(16)10-15-12-4-6-14(19-2)7-5-12/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyMMGBEDWXIXIBCU-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.23
Rot. Bonds10

About 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol

1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol (PubChem CID 60897868) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
PubChem CID60897868
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
SMILESCCOCCOCC(O)CNc1ccc(SC)cc1
InChIInChI=1S/C14H23NO3S/c1-3-17-8-9-18-11-13(16)10-15-12-4-6-14(19-2)7-5-12/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyMMGBEDWXIXIBCU-UHFFFAOYSA-N
XLogP2.23
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.23
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

1-(2-methoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol
CID 106989080
1-hexoxy-3-(4-methylsulfanylanilino)propan-2-ol
CID 60898444
1-methoxy-3-(4-methylsulfanylanilino)propan-2-ol
CID 63931302
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-[3-(dimethylamino)-4-methylanilino]-3-(2-ethoxyethoxy)propan-2-ol
CID 115378136
1-(3-chloro-4-methoxyanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60899181
(2S)-1-(4-methylsulfanylanilino)propan-2-ol
CID 93345415
methyl 3-hydroxy-4-(4-methylsulfanylanilino)butanoate
CID 115123225
1-(3-bromo-5-methylanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 107583006
1-(2-ethoxyethoxy)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]propan-2-ol
CID 107462679

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol (CID 60897868) is 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol is CCOCCOCC(O)CNc1ccc(SC)cc1.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol?
The InChIKey is MMGBEDWXIXIBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-17-8-9-18-11-13(16)10-15-12-4-6-14(19-2)7-5-12/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol?
1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol has a molecular weight of 285.41 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-(4-methylsulfanylanilino)propan-2-ol is sourced from PubChem (CID 60897868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).