N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine

C14H24N2S — CID 116960272

IUPACN-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1ccc(SC)cc1)C(CN)C(C)C
InChIInChI=1S/C14H24N2S/c1-10(2)13(9-15)14(16-3)11-5-7-12(17-4)8-6-11/h5-8,10,13-14,16H,9,15H2,1-4H3
InChIKeyKCLNAEXHKNUWST-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.90
Rot. Bonds6

About N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine

N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116960272) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116960272
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1ccc(SC)cc1)C(CN)C(C)C
InChIInChI=1S/C14H24N2S/c1-10(2)13(9-15)14(16-3)11-5-7-12(17-4)8-6-11/h5-8,10,13-14,16H,9,15H2,1-4H3
InChIKeyKCLNAEXHKNUWST-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-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

1-(3,4-dimethylphenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960219
1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116960290
2-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 54176621
2-[amino-(4-methylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116945647
N-methyl-1-(5-methylfuran-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116960297
N-methyl-2-propan-2-yl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960302
5-methyl-1-(4-methylsulfanylphenyl)hexan-1-amine
CID 105028980
1-(3,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960347
N-methyl-2-propan-2-yl-1-pyridin-2-ylpropane-1,3-diamine
CID 116960292
N-methyl-1-naphthalen-1-yl-2-propan-2-ylpropane-1,3-diamine
CID 116960307
4-[methylamino-(4-methylsulfanylphenyl)methyl]aniline
CID 116952045
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
CID 53484788

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 116960272) is N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine is CNC(c1ccc(SC)cc1)C(CN)C(C)C.
What is the InChIKey of N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is KCLNAEXHKNUWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10(2)13(9-15)14(16-3)11-5-7-12(17-4)8-6-11/h5-8,10,13-14,16H,9,15H2,1-4H3.
What are the key properties of N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine?
N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 252.43 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116960272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).