2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol

C15H25NOS — CID 19026831

IUPAC2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol
SMILESCCN(CC)CCCSCC(O)c1ccccc1
InChIInChI=1S/C15H25NOS/c1-3-16(4-2)11-8-12-18-13-15(17)14-9-6-5-7-10-14/h5-7,9-10,15,17H,3-4,8,11-13H2,1-2H3
InChIKeyMUFZRMFSQRZZMM-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.19
Rot. Bonds9

About 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol

2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol (PubChem CID 19026831) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol.

Molecular Properties

Compound Name2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol
PubChem CID19026831
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol
SMILESCCN(CC)CCCSCC(O)c1ccccc1
InChIInChI=1S/C15H25NOS/c1-3-16(4-2)11-8-12-18-13-15(17)14-9-6-5-7-10-14/h5-7,9-10,15,17H,3-4,8,11-13H2,1-2H3
InChIKeyMUFZRMFSQRZZMM-UHFFFAOYSA-N
XLogP3.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone
CID 59233394
(1S)-2-[2-(diethylamino)ethylamino]-1-phenylethanol
CID 93032029
2-ethylsulfanyl-1-(4-phenylphenyl)ethanol
CID 65455892
3-ethylsulfanyl-1-phenylpropan-1-ol
CID 12525073
(1R)-1-[2-[2-(diethylamino)ethylsulfanyl]phenyl]propan-1-ol
CID 113359142
1-(diethylamino)-3-[(2-hydroxy-2-phenylethyl)amino]propan-2-ol
CID 60710601
(1S,2R)-2-deuterio-1-phenylpropan-1-ol
CID 175690859
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
CID 79480920
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenylethanol
CID 78977116
(1S)-1-phenylpentan-1-ol
CID 6992754
2-[2-(diethylamino)ethylsulfanyl]ethane-1,1-diol
CID 134444307

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol?
The IUPAC name of 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol (CID 19026831) is 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol.
What is the SMILES notation for 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol?
The canonical SMILES for 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol is CCN(CC)CCCSCC(O)c1ccccc1.
What is the InChIKey of 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol?
The InChIKey is MUFZRMFSQRZZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-16(4-2)11-8-12-18-13-15(17)14-9-6-5-7-10-14/h5-7,9-10,15,17H,3-4,8,11-13H2,1-2H3.
What are the key properties of 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol?
2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol has a molecular weight of 267.44 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propylsulfanyl]-1-phenylethanol is sourced from PubChem (CID 19026831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).