4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol

C15H23NOS — CID 114115711

IUPAC4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol
SMILESCCC(NCC1(SC)CCC1)c1ccc(O)cc1
InChIInChI=1S/C15H23NOS/c1-3-14(12-5-7-13(17)8-6-12)16-11-15(18-2)9-4-10-15/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeyHYMRNIMBBKHVQG-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.72
Rot. Bonds6

About 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol

4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol (PubChem CID 114115711) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol
PubChem CID114115711
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol
SMILESCCC(NCC1(SC)CCC1)c1ccc(O)cc1
InChIInChI=1S/C15H23NOS/c1-3-14(12-5-7-13(17)8-6-12)16-11-15(18-2)9-4-10-15/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeyHYMRNIMBBKHVQG-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-((Methylamino)methyl)phenol
CID 13104924
4-[(Cyclohexylamino)methyl]phenol
CID 407434
4-[[[Cyclobutyl(phenyl)methyl]amino]methyl]-2,6-dimethylphenol
CID 44527417
4-[(Octylamino)methyl]phenol
CID 78911393
2-(2-Methyl-1,3-thiazolidin-2-yl)phenol
CID 204660
NoName_3188
CID 208014
4-[(Cyclohexylamino)methyl]phenol;hydrochloride
CID 2939085
4-[(Butylamino)methyl]phenol
CID 12285056
4-[[3-(Dimethylamino)propylamino]methyl]phenol
CID 28481859
4-Hydroxyethylamphetamine
CID 129646
Phenol, p-(2-methyl-2-thiazolidinyl)-
CID 204661
2-(2-Ethyl-1,3-thiazolidin-2-yl)phenol
CID 204662

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol?
The IUPAC name of 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol (CID 114115711) is 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol.
What is the SMILES notation for 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol?
The canonical SMILES for 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol is CCC(NCC1(SC)CCC1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol?
The InChIKey is HYMRNIMBBKHVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-14(12-5-7-13(17)8-6-12)16-11-15(18-2)9-4-10-15/h5-8,14,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol?
4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol has a molecular weight of 265.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylsulfanylcyclobutyl)methylamino]propyl]phenol is sourced from PubChem (CID 114115711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).