2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol

C12H19NO3S — CID 115764164

IUPAC2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol
SMILESCOc1cccc(CNCC(C)S(C)=O)c1O
InChIInChI=1S/C12H19NO3S/c1-9(17(3)15)7-13-8-10-5-4-6-11(16-2)12(10)14/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyPKFBIKCMIXPDGO-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.26
Rot. Bonds6

About 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol

2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol (PubChem CID 115764164) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol
PubChem CID115764164
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol
SMILESCOc1cccc(CNCC(C)S(C)=O)c1O
InChIInChI=1S/C12H19NO3S/c1-9(17(3)15)7-13-8-10-5-4-6-11(16-2)12(10)14/h4-6,9,13-14H,7-8H2,1-3H3
InChIKeyPKFBIKCMIXPDGO-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]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

2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
2-methoxy-6-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632548
2-[(2-ethoxypropylamino)methyl]-6-methoxyphenol
CID 115655699
2-methylsulfinyl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 115763905
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115763988
2-[(4-hydroxypentylamino)methyl]-6-methoxyphenol
CID 107267707
N,N'-bis[(2-hydroxy-3-methoxyphenyl)methyl]oxamide
CID 139206905
2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
CID 163327227
2-[[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]methyl]-6-methoxyphenol
CID 43202369
3-[(2-hydroxy-3-methoxyphenyl)methylamino]propanenitrile
CID 28728331
2-methoxy-6-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81367015
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol?
The IUPAC name of 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol (CID 115764164) is 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol?
The canonical SMILES for 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol is COc1cccc(CNCC(C)S(C)=O)c1O.
What is the InChIKey of 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol?
The InChIKey is PKFBIKCMIXPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-9(17(3)15)7-13-8-10-5-4-6-11(16-2)12(10)14/h4-6,9,13-14H,7-8H2,1-3H3.
What are the key properties of 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol?
2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol has a molecular weight of 257.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol is sourced from PubChem (CID 115764164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).