4-[3-(2-methylsulfinylpropylamino)butyl]phenol

C14H23NO2S — CID 113470908

IUPAC4-[3-(2-methylsulfinylpropylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCC(C)S(C)=O
InChIInChI=1S/C14H23NO2S/c1-11(15-10-12(2)18(3)17)4-5-13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,4-5,10H2,1-3H3
InChIKeyZCUDYXOXAYOLGZ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.07
Rot. Bonds7

About 4-[3-(2-methylsulfinylpropylamino)butyl]phenol

4-[3-(2-methylsulfinylpropylamino)butyl]phenol (PubChem CID 113470908) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-[3-(2-methylsulfinylpropylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(2-methylsulfinylpropylamino)butyl]phenol
PubChem CID113470908
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name4-[3-(2-methylsulfinylpropylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCC(C)S(C)=O
InChIInChI=1S/C14H23NO2S/c1-11(15-10-12(2)18(3)17)4-5-13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,4-5,10H2,1-3H3
InChIKeyZCUDYXOXAYOLGZ-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896171
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
3-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanenitrile
CID 62646914
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
4-[3-[(3-ethyl-2-hydroxypentyl)amino]butyl]phenol
CID 104861989
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylacetamide
CID 43310878
4-[3-(1-aminopropan-2-ylamino)butyl]phenol
CID 103388958

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylsulfinylpropylamino)butyl]phenol?
The IUPAC name of 4-[3-(2-methylsulfinylpropylamino)butyl]phenol (CID 113470908) is 4-[3-(2-methylsulfinylpropylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(2-methylsulfinylpropylamino)butyl]phenol?
The canonical SMILES for 4-[3-(2-methylsulfinylpropylamino)butyl]phenol is CC(CCc1ccc(O)cc1)NCC(C)S(C)=O.
What is the InChIKey of 4-[3-(2-methylsulfinylpropylamino)butyl]phenol?
The InChIKey is ZCUDYXOXAYOLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-11(15-10-12(2)18(3)17)4-5-13-6-8-14(16)9-7-13/h6-9,11-12,15-16H,4-5,10H2,1-3H3.
What are the key properties of 4-[3-(2-methylsulfinylpropylamino)butyl]phenol?
4-[3-(2-methylsulfinylpropylamino)butyl]phenol has a molecular weight of 269.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylsulfinylpropylamino)butyl]phenol is sourced from PubChem (CID 113470908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).