N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine

C11H18N2S — CID 20546579

IUPACN'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine
SMILESCNCC(CN)c1ccccc1SC
InChIInChI=1S/C11H18N2S/c1-13-8-9(7-12)10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyXFEJGKFFUYOYOD-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.67
Rot. Bonds5

About N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine

N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine (PubChem CID 20546579) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine
PubChem CID20546579
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine
SMILESCNCC(CN)c1ccccc1SC
InChIInChI=1S/C11H18N2S/c1-13-8-9(7-12)10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3
InChIKeyXFEJGKFFUYOYOD-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine 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-[1-amino-3-(methylamino)propan-2-yl]phenol
CID 20546109
N'-methyl-2-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 20546207
2-(2,3-difluorophenyl)-N'-methylpropane-1,3-diamine
CID 20546582
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
3-(2-methylsulfanylphenyl)pentanedinitrile
CID 20546493
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
4-(methylamino)-1-(2-methylsulfanylphenyl)butane-1,2-diol
CID 171889747
2-(2-fluorophenyl)-N,5,5-trimethylhexan-1-amine
CID 79439065
N-methyl-1-(2-methylsulfanylphenyl)hex-4-yn-1-amine
CID 105037585
2-(4-fluorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441486
2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115840237
(1R,2R)-2-(3,4-dichlorophenyl)-3-(methylamino)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 118675659

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine (CID 20546579) is N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine is CNCC(CN)c1ccccc1SC.
What is the InChIKey of N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine?
The InChIKey is XFEJGKFFUYOYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-13-8-9(7-12)10-5-3-4-6-11(10)14-2/h3-6,9,13H,7-8,12H2,1-2H3.
What are the key properties of N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine?
N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine has a molecular weight of 210.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylsulfanylphenyl)propane-1,3-diamine is sourced from PubChem (CID 20546579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).