2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol

C15H25NO2S — CID 64612522

IUPAC2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol
SMILESCCCNC(C)c1ccc(OC)c(CSCCO)c1
InChIInChI=1S/C15H25NO2S/c1-4-7-16-12(2)13-5-6-15(18-3)14(10-13)11-19-9-8-17/h5-6,10,12,16-17H,4,7-9,11H2,1-3H3
InChIKeyPKWDOULWTDLRKN-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.98
Rot. Bonds9

About 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol

2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol (PubChem CID 64612522) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol
PubChem CID64612522
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol
SMILESCCCNC(C)c1ccc(OC)c(CSCCO)c1
InChIInChI=1S/C15H25NO2S/c1-4-7-16-12(2)13-5-6-15(18-3)14(10-13)11-19-9-8-17/h5-6,10,12,16-17H,4,7-9,11H2,1-3H3
InChIKeyPKWDOULWTDLRKN-UHFFFAOYSA-N
XLogP2.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.98
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

3-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]propan-1-ol
CID 66127935
N-ethyl-1-[4-methoxy-3-(pentylsulfanylmethyl)phenyl]ethanamine
CID 107763041
N-ethyl-1-[4-methoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764159
2-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]amino]ethanol
CID 7242151
N-[1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethyl]propan-1-amine
CID 64652983
N-[1-[3-(butylsulfinylmethyl)-4-methoxyphenyl]ethyl]propan-1-amine
CID 64656173
5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
CID 103905531
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
1-[2-methoxy-4-[1-(propylamino)ethyl]phenoxy]butan-2-ol
CID 60883043
3-[[2-ethoxy-5-[1-(methylamino)ethyl]phenyl]methylsulfanyl]propan-1-ol
CID 66126439
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol?
The IUPAC name of 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol (CID 64612522) is 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol.
What is the SMILES notation for 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol?
The canonical SMILES for 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol is CCCNC(C)c1ccc(OC)c(CSCCO)c1.
What is the InChIKey of 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol?
The InChIKey is PKWDOULWTDLRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-7-16-12(2)13-5-6-15(18-3)14(10-13)11-19-9-8-17/h5-6,10,12,16-17H,4,7-9,11H2,1-3H3.
What are the key properties of 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol?
2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol has a molecular weight of 283.44 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-5-[1-(propylamino)ethyl]phenyl]methylsulfanyl]ethanol is sourced from PubChem (CID 64612522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).