2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol

C15H23NO2S — CID 80726953

IUPAC2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol
SMILESCOc1cc(C(C)NCC2(C)CCCS2)ccc1O
InChIInChI=1S/C15H23NO2S/c1-11(16-10-15(2)7-4-8-19-15)12-5-6-13(17)14(9-12)18-3/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3
InChIKeyPXWRVFDQEDIKJE-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.34
Rot. Bonds5

About 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol

2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol (PubChem CID 80726953) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol
PubChem CID80726953
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol
SMILESCOc1cc(C(C)NCC2(C)CCCS2)ccc1O
InChIInChI=1S/C15H23NO2S/c1-11(16-10-15(2)7-4-8-19-15)12-5-6-13(17)14(9-12)18-3/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3
InChIKeyPXWRVFDQEDIKJE-UHFFFAOYSA-N
XLogP3.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methylthiolan-2-yl)methyl]-1-phenylethanamine
CID 80527826
N,N-dimethyl-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]aniline
CID 80725736
N-[(2-methylthiolan-2-yl)methyl]-1-(4-propylphenyl)ethanamine
CID 80726715
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 104759790
1-(furan-3-yl)-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80725439
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide
CID 97323688
N-methyl-4-[(1R)-1-[[(2R)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide
CID 97323690
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]acetamide
CID 16772013
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol (CID 80726953) is 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol is COc1cc(C(C)NCC2(C)CCCS2)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol?
The InChIKey is PXWRVFDQEDIKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(16-10-15(2)7-4-8-19-15)12-5-6-13(17)14(9-12)18-3/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3.
What are the key properties of 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol?
2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol has a molecular weight of 281.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[(2-methylthiolan-2-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 80726953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).