N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine

C14H24N2S — CID 112665980

IUPACN-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
SMILESCNCc1cccc(CN(C)C(C)CSC)c1
InChIInChI=1S/C14H24N2S/c1-12(11-17-4)16(3)10-14-7-5-6-13(8-14)9-15-2/h5-8,12,15H,9-11H2,1-4H3
InChIKeyHORXMJYJWBEZIU-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.59
Rot. Bonds7

About N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine

N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine (PubChem CID 112665980) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
PubChem CID112665980
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine
SMILESCNCc1cccc(CN(C)C(C)CSC)c1
InChIInChI=1S/C14H24N2S/c1-12(11-17-4)16(3)10-14-7-5-6-13(8-14)9-15-2/h5-8,12,15H,9-11H2,1-4H3
InChIKeyHORXMJYJWBEZIU-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine 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-methyl-1-methylsulfanyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-2-amine
CID 115987823
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
N,2-dimethyl-N-[[3-(methylaminomethyl)phenyl]methyl]butan-1-amine
CID 55074982
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985100
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
2-amino-4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenol
CID 112657650
N,2-dimethyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112662365
2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
N-(2-methoxyethyl)-N-[[3-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 82952722
N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine
CID 66349587
2-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115988551

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine (CID 112665980) is N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine is CNCc1cccc(CN(C)C(C)CSC)c1.
What is the InChIKey of N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is HORXMJYJWBEZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-12(11-17-4)16(3)10-14-7-5-6-13(8-14)9-15-2/h5-8,12,15H,9-11H2,1-4H3.
What are the key properties of N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine?
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 112665980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).