1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine

C17H27NOS — CID 64627355

IUPAC1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCCNC(CSC1CCOCC1)c1ccc(C)cc1C
InChIInChI=1S/C17H27NOS/c1-4-18-17(12-20-15-7-9-19-10-8-15)16-6-5-13(2)11-14(16)3/h5-6,11,15,17-18H,4,7-10,12H2,1-3H3
InChIKeyKEIRFGIMHLDWHC-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.87
Rot. Bonds6

About 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine

1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine (PubChem CID 64627355) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
PubChem CID64627355
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCCNC(CSC1CCOCC1)c1ccc(C)cc1C
InChIInChI=1S/C17H27NOS/c1-4-18-17(12-20-15-7-9-19-10-8-15)16-6-5-13(2)11-14(16)3/h5-6,11,15,17-18H,4,7-10,12H2,1-3H3
InChIKeyKEIRFGIMHLDWHC-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64626571
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115846995
1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332878
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625568
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614075
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762758
1-(2-chloro-4-methylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106857381
1-(2,4-dimethylphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 64628360
1-(2,4-dimethylphenyl)-N,3-diethylpentan-1-amine
CID 105028376
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 65144292

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine (CID 64627355) is 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine is CCNC(CSC1CCOCC1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine?
The InChIKey is KEIRFGIMHLDWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-4-18-17(12-20-15-7-9-19-10-8-15)16-6-5-13(2)11-14(16)3/h5-6,11,15,17-18H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine?
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine is sourced from PubChem (CID 64627355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).