3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol

C17H29NOS — CID 66102568

IUPAC3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCCCc1ccc(C(CSCC(C)CO)NCC)cc1
InChIInChI=1S/C17H29NOS/c1-4-6-15-7-9-16(10-8-15)17(18-5-2)13-20-12-14(3)11-19/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyVYCGAKGUOPAJNI-UHFFFAOYSA-N
MW295.49 g/mol
LogP3.65
Rot. Bonds10

About 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol

3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol (PubChem CID 66102568) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
PubChem CID66102568
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
SMILESCCCc1ccc(C(CSCC(C)CO)NCC)cc1
InChIInChI=1S/C17H29NOS/c1-4-6-15-7-9-16(10-8-15)17(18-5-2)13-20-12-14(3)11-19/h7-10,14,17-19H,4-6,11-13H2,1-3H3
InChIKeyVYCGAKGUOPAJNI-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
3-[2-(4-tert-butylphenyl)-2-(ethylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105660
3-[2-(3,4-dimethylphenyl)-2-(ethylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105437
3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79670946
N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 107763388
2-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropan-1-ol
CID 113374023
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide
CID 66103845
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol (CID 66102568) is 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol is CCCc1ccc(C(CSCC(C)CO)NCC)cc1.
What is the InChIKey of 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is VYCGAKGUOPAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-4-6-15-7-9-16(10-8-15)17(18-5-2)13-20-12-14(3)11-19/h7-10,14,17-19H,4-6,11-13H2,1-3H3.
What are the key properties of 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol?
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 295.49 g/mol, XLogP of 3.65, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66102568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).