N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine

C15H25NOS — CID 104660213

IUPACN-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(CSC(C)C)NC
InChIInChI=1S/C15H25NOS/c1-5-10-17-15-9-7-6-8-13(15)14(16-4)11-18-12(2)3/h6-9,12,14,16H,5,10-11H2,1-4H3
InChIKeyZKLHFYQDFWNAQO-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.88
Rot. Bonds8

About N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine

N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine (PubChem CID 104660213) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
PubChem CID104660213
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(CSC(C)C)NC
InChIInChI=1S/C15H25NOS/c1-5-10-17-15-9-7-6-8-13(15)14(16-4)11-18-12(2)3/h6-9,12,14,16H,5,10-11H2,1-4H3
InChIKeyZKLHFYQDFWNAQO-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 64633258
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
1-[2-(2-methoxyethoxy)phenyl]-N-methylheptan-1-amine
CID 105035211
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
2-tert-butylsulfanyl-1-[2-(2-methoxyethoxy)phenyl]-N-methylethanamine
CID 104660220
1-(2-propoxyphenyl)ethanol
CID 43503976
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine
CID 104660894

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine?
The IUPAC name of N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine (CID 104660213) is N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine?
The canonical SMILES for N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine is CCCOc1ccccc1C(CSC(C)C)NC.
What is the InChIKey of N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine?
The InChIKey is ZKLHFYQDFWNAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-5-10-17-15-9-7-6-8-13(15)14(16-4)11-18-12(2)3/h6-9,12,14,16H,5,10-11H2,1-4H3.
What are the key properties of N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine?
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine is sourced from PubChem (CID 104660213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).