2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol

C13H21NO2S — CID 64821923

IUPAC2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCCNC(C)(CO)CSc1ccccc1OC
InChIInChI=1S/C13H21NO2S/c1-4-14-13(2,9-15)10-17-12-8-6-5-7-11(12)16-3/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyGYHUBOMWBKCWPP-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.15
Rot. Bonds7

About 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol

2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 64821923) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID64821923
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCCNC(C)(CO)CSc1ccccc1OC
InChIInChI=1S/C13H21NO2S/c1-4-14-13(2,9-15)10-17-12-8-6-5-7-11(12)16-3/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyGYHUBOMWBKCWPP-UHFFFAOYSA-N
XLogP2.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol
CID 64821924
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
2-(ethylamino)-4-(2-methoxy-N-methylanilino)-2-methylbutan-1-ol
CID 64791522
2-(ethylamino)-2-methyl-3-thiophen-2-ylsulfanylpropan-1-ol
CID 64819711
2-(ethylamino)-6-(2-methoxy-N-methylanilino)-2-methylhexan-1-ol
CID 64790716
5-(2-bromophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64819935
1-(1,1-dideuterio(113C)ethylsulfanyl)-2-methoxybenzene
CID 58500338
2-(ethylamino)-2-methyl-4-(2-methylphenoxy)butan-1-ol
CID 64803345
2-(ethylamino)-4-(2-methoxyphenyl)sulfanyl-2-methylpentanoic acid
CID 64704900
N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine
CID 64627121
1-(1-deuterio-1-protio(113C)ethyl)sulfanyl-2-methoxybenzene
CID 58500194
1-methoxy-2-[(E)-4-(2-methoxyphenyl)sulfanylbut-2-enyl]sulfanylbenzene
CID 60593855

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol (CID 64821923) is 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol is CCNC(C)(CO)CSc1ccccc1OC.
What is the InChIKey of 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is GYHUBOMWBKCWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-14-13(2,9-15)10-17-12-8-6-5-7-11(12)16-3/h5-8,14-15H,4,9-10H2,1-3H3.
What are the key properties of 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol?
2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 255.38 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 64821923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).