2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol

C16H27NO2S — CID 64821924

IUPAC2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCSc1ccccc1OC
InChIInChI=1S/C16H27NO2S/c1-4-17-16(2,13-18)11-7-8-12-20-15-10-6-5-9-14(15)19-3/h5-6,9-10,17-18H,4,7-8,11-13H2,1-3H3
InChIKeyAUAXMFPAPWXTQG-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.32
Rot. Bonds10

About 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol

2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol (PubChem CID 64821924) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol
PubChem CID64821924
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCSc1ccccc1OC
InChIInChI=1S/C16H27NO2S/c1-4-17-16(2,13-18)11-7-8-12-20-15-10-6-5-9-14(15)19-3/h5-6,9-10,17-18H,4,7-8,11-13H2,1-3H3
InChIKeyAUAXMFPAPWXTQG-UHFFFAOYSA-N
XLogP3.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-3-(2-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 64821923
5-(2-bromophenyl)sulfanyl-2-(ethylamino)-2-methylpentan-1-ol
CID 64819935
6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol
CID 64820158
2-(ethylamino)-6-(2-methoxy-N-methylanilino)-2-methylhexan-1-ol
CID 64790716
2-(ethylamino)-4-(2-methoxy-N-methylanilino)-2-methylbutan-1-ol
CID 64791522
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
2-(ethylamino)-2-methyl-6-propan-2-ylsulfanylhexan-1-ol
CID 64808310
1-(3-chloropropylsulfanyl)-2-methoxybenzene
CID 57163919
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
CID 64806619
2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol
CID 64808507
5-(2-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64807414

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol?
The IUPAC name of 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol (CID 64821924) is 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol.
What is the SMILES notation for 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol?
The canonical SMILES for 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol is CCNC(C)(CO)CCCCSc1ccccc1OC.
What is the InChIKey of 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol?
The InChIKey is AUAXMFPAPWXTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-4-17-16(2,13-18)11-7-8-12-20-15-10-6-5-9-14(15)19-3/h5-6,9-10,17-18H,4,7-8,11-13H2,1-3H3.
What are the key properties of 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol?
2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol has a molecular weight of 297.46 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol is sourced from PubChem (CID 64821924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).