N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine

C16H27NOS — CID 107763373

IUPACN-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
SMILESCCNC(CSC(C)C(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H27NOS/c1-6-17-16(11-19-13(4)12(2)3)14-8-7-9-15(10-14)18-5/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyQSVDKPDVNYYBKI-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.12
Rot. Bonds8

About N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine

N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine (PubChem CID 107763373) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
PubChem CID107763373
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
SMILESCCNC(CSC(C)C(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H27NOS/c1-6-17-16(11-19-13(4)12(2)3)14-8-7-9-15(10-14)18-5/h7-10,12-13,16-17H,6,11H2,1-5H3
InChIKeyQSVDKPDVNYYBKI-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650219
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 64620365
3-[2-(3-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772501
N-ethyl-1-(3-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64625668
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 106927965
N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 107763388
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60797782
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 62605862
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine (CID 107763373) is N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine is CCNC(CSC(C)C(C)C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine?
The InChIKey is QSVDKPDVNYYBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-6-17-16(11-19-13(4)12(2)3)14-8-7-9-15(10-14)18-5/h7-10,12-13,16-17H,6,11H2,1-5H3.
What are the key properties of N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine?
N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine has a molecular weight of 281.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 107763373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).