2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol

C12H19NOS — CID 64806014

IUPAC2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
SMILESCCNC(CO)(CSC)c1ccccc1
InChIInChI=1S/C12H19NOS/c1-3-13-12(9-14,10-15-2)11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyPAILJJUPVICFII-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.85
Rot. Bonds6

About 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol

2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol (PubChem CID 64806014) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
PubChem CID64806014
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
SMILESCCNC(CO)(CSC)c1ccccc1
InChIInChI=1S/C12H19NOS/c1-3-13-12(9-14,10-15-2)11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3
InChIKeyPAILJJUPVICFII-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol
CID 64821042
2-(ethylamino)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 64789866
4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol
CID 64802794
2-(ethylamino)-3-[2-methylpropyl(propan-2-yl)amino]-2-phenylpropan-1-ol
CID 64827794
2-(ethylamino)-2-phenyl-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 116695123
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
4-[cyclopropyl(ethyl)amino]-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695126
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol?
The IUPAC name of 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol (CID 64806014) is 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol is CCNC(CO)(CSC)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol?
The InChIKey is PAILJJUPVICFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-13-12(9-14,10-15-2)11-7-5-4-6-8-11/h4-8,13-14H,3,9-10H2,1-2H3.
What are the key properties of 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol?
2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol is sourced from PubChem (CID 64806014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).