2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol

C12H20N2OS — CID 112657650

IUPAC2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
SMILESCSCC(C)N(C)Cc1ccc(O)c(N)c1
InChIInChI=1S/C12H20N2OS/c1-9(8-16-3)14(2)7-10-4-5-12(15)11(13)6-10/h4-6,9,15H,7-8,13H2,1-3H3
InChIKeySVUNWJWNJADSEY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.16
Rot. Bonds5

About 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol

2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol (PubChem CID 112657650) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
PubChem CID112657650
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
SMILESCSCC(C)N(C)Cc1ccc(O)c(N)c1
InChIInChI=1S/C12H20N2OS/c1-9(8-16-3)14(2)7-10-4-5-12(15)11(13)6-10/h4-6,9,15H,7-8,13H2,1-3H3
InChIKeySVUNWJWNJADSEY-UHFFFAOYSA-N
XLogP2.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]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

4-[[methyl-[(2R)-1-methylsulfanylpropan-2-yl]amino]methyl]-2-nitrophenol
CID 97159922
2-amino-4-[[bis(2-methylpropyl)amino]methyl]phenol
CID 43587541
[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]boronic acid
CID 112663861
4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzohydrazide
CID 112666671
N'-hydroxy-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]benzenecarboximidamide
CID 112660110
2-chloro-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]aniline
CID 112661035
2-amino-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 81059455
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665980
N-[4-[[methyl-[(2S)-1-methylsulfanylpropan-2-yl]amino]methyl]phenyl]acetamide
CID 97159915
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-methylsulfanylpropan-2-amine
CID 112661085
2-amino-4-(2-methylbutylsulfanylmethyl)phenol
CID 107748818
2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 60890972

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol (CID 112657650) is 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol is CSCC(C)N(C)Cc1ccc(O)c(N)c1.
What is the InChIKey of 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol?
The InChIKey is SVUNWJWNJADSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(8-16-3)14(2)7-10-4-5-12(15)11(13)6-10/h4-6,9,15H,7-8,13H2,1-3H3.
What are the key properties of 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol?
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol has a molecular weight of 240.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 112657650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).