1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine

C17H27NOS — CID 107762758

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
SMILESCCNC(CSC1CCOC1C)c1cc(C)ccc1C
InChIInChI=1S/C17H27NOS/c1-5-18-16(11-20-17-8-9-19-14(17)4)15-10-12(2)6-7-13(15)3/h6-7,10,14,16-18H,5,8-9,11H2,1-4H3
InChIKeyBNTYMYFURGBGQN-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.86
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine

1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine (PubChem CID 107762758) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
PubChem CID107762758
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
SMILESCCNC(CSC1CCOC1C)c1cc(C)ccc1C
InChIInChI=1S/C17H27NOS/c1-5-18-16(11-20-17-8-9-19-14(17)4)15-10-12(2)6-7-13(15)3/h6-7,10,14,16-18H,5,8-9,11H2,1-4H3
InChIKeyBNTYMYFURGBGQN-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332878
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627355
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423
2-(2-methyloxolan-3-yl)sulfanyl-1-(2-methylphenyl)ethanamine
CID 107762814
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
1-(4-ethylphenyl)-N-methyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762815
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine
CID 113289535
1-(2,5-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019919
N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 107762569

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine (CID 107762758) is 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine is CCNC(CSC1CCOC1C)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
The InChIKey is BNTYMYFURGBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-18-16(11-20-17-8-9-19-14(17)4)15-10-12(2)6-7-13(15)3/h6-7,10,14,16-18H,5,8-9,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine is sourced from PubChem (CID 107762758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).