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-[1-[[1-(dimethylamino)cyclopentyl]methylamino]propyl]phenol
CID 83116508
4-[[1-(4-hydroxyphenyl)propylamino]methyl]oxan-4-ol
CID 81131200
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]propan-1-amine
CID 107269888
4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol
CID 107163202
4-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 114116819
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 107269688
N-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-4-ylethanamine
CID 107266129
4-[1-[2-(dimethylamino)propylamino]propyl]phenol
CID 54913241
4-[1-(2,2-dimethoxyethylamino)propyl]phenol
CID 54921747
N-[(1-methylsulfanylcyclobutyl)methyl]hexan-3-amine
CID 107269730
1-(5-ethylthiophen-2-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanamine
CID 107269723
1-[[1-(4-fluorophenyl)propylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415705

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).