N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine

C13H21NS — CID 107761549

IUPACN-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine
SMILESCNCc1ccccc1SC(C)C(C)C
InChIInChI=1S/C13H21NS/c1-10(2)11(3)15-13-8-6-5-7-12(13)9-14-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyUDRSCTHGGVKDTJ-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.54
Rot. Bonds5

About N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine

N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine (PubChem CID 107761549) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine
PubChem CID107761549
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine
SMILESCNCc1ccccc1SC(C)C(C)C
InChIInChI=1S/C13H21NS/c1-10(2)11(3)15-13-8-6-5-7-12(13)9-14-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyUDRSCTHGGVKDTJ-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine 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-[4-bromo-2-(3-methylbutan-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 107761626
N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805324
N-methyl-1-(2-pyrimidin-2-ylsulfanylphenyl)methanamine
CID 63804628
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63808082
ethane;N-methyl-1-(2-propan-2-ylphenyl)methanamine
CID 177247543
3-[2-(methylaminomethyl)phenyl]sulfanylpropan-1-ol
CID 66126631
2-methyl-N-[(2-propan-2-ylsulfanylphenyl)methyl]propan-2-amine
CID 63807537
ethane;methane;N-methyl-1-(2-methylsulfanylphenyl)methanamine;propane;propan-2-one
CID 158849572
1-[2-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine
CID 63855621
N-methyl-2-(methylaminomethyl)aniline
CID 576504
(E)-but-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol
CID 6449759
3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol
CID 15982556

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine (CID 107761549) is N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine is CNCc1ccccc1SC(C)C(C)C.
What is the InChIKey of N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine?
The InChIKey is UDRSCTHGGVKDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(2)11(3)15-13-8-6-5-7-12(13)9-14-4/h5-8,10-11,14H,9H2,1-4H3.
What are the key properties of N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine?
N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine has a molecular weight of 223.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 107761549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).