N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine

C16H27NS — CID 64610898

IUPACN-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CSCC(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NS/c1-11(2)9-18-10-15(17-6)16-13(4)7-12(3)8-14(16)5/h7-8,11,15,17H,9-10H2,1-6H3
InChIKeyMYIFENYLIHWPSG-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.26
Rot. Bonds6

About N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine

N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64610898) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64610898
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(CSCC(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NS/c1-11(2)9-18-10-15(17-6)16-13(4)7-12(3)8-14(16)5/h7-8,11,15,17H,9-10H2,1-6H3
InChIKeyMYIFENYLIHWPSG-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine 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-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 107763634
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
N-methyl-2-(oxolan-2-ylmethylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 106496962
N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64652449
2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64614124
1-(3,5-difluorophenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 65135295
N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63467905
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881599
N-methyl-2-(3-methylbutylsulfonyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 107760379
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106927657
N'-cyclopropyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63467799

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 64610898) is N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine is CNC(CSCC(C)C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is MYIFENYLIHWPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-11(2)9-18-10-15(17-6)16-13(4)7-12(3)8-14(16)5/h7-8,11,15,17H,9-10H2,1-6H3.
What are the key properties of N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 265.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64610898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).