N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine

C16H27NOS — CID 65318131

IUPACN-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCNC(CSCC(C)C)c1ccc(OC)cc1C
InChIInChI=1S/C16H27NOS/c1-6-17-16(11-19-10-12(2)3)15-8-7-14(18-5)9-13(15)4/h7-9,12,16-17H,6,10-11H2,1-5H3
InChIKeyFUPSFAVGAYKZBZ-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.04
Rot. Bonds8

About N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine

N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 65318131) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID65318131
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCCNC(CSCC(C)C)c1ccc(OC)cc1C
InChIInChI=1S/C16H27NOS/c1-6-17-16(11-19-10-12(2)3)15-8-7-14(18-5)9-13(15)4/h7-9,12,16-17H,6,10-11H2,1-5H3
InChIKeyFUPSFAVGAYKZBZ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-propoxyethanamine
CID 65313666
[1-(4-methoxy-2-methylphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225877
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568
1-(2,4-dimethoxyphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107763149
N-ethyl-1-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105115672
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 103433571
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614075
N-ethyl-2-(2-methylpropylsulfanyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 65134970
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine (CID 65318131) is N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine is CCNC(CSCC(C)C)c1ccc(OC)cc1C.
What is the InChIKey of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is FUPSFAVGAYKZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-6-17-16(11-19-10-12(2)3)15-8-7-14(18-5)9-13(15)4/h7-9,12,16-17H,6,10-11H2,1-5H3.
What are the key properties of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine?
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 281.46 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 65318131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).