1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine

C15H25NOS — CID 113389108

IUPAC1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(C)c1c(OC)cccc1SC(C)CC
InChIInChI=1S/C15H25NOS/c1-6-11(3)18-14-10-8-9-13(17-5)15(14)12(4)16-7-2/h8-12,16H,6-7H2,1-5H3
InChIKeyPHPJCZUBGJOYQH-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.26
Rot. Bonds7

About 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine

1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine (PubChem CID 113389108) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine
PubChem CID113389108
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine
SMILESCCNC(C)c1c(OC)cccc1SC(C)CC
InChIInChI=1S/C15H25NOS/c1-6-11(3)18-14-10-8-9-13(17-5)15(14)12(4)16-7-2/h8-12,16H,6-7H2,1-5H3
InChIKeyPHPJCZUBGJOYQH-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine
CID 113389112
N-ethyl-1-[2-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 113389077
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
1-(2,6-dimethoxyphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 105052132
1-(2,6-dimethoxyphenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 116810456
N-benzyl-2-[1-(ethylamino)ethyl]-3-methoxy-N-propan-2-ylaniline
CID 113388939
2-(2,6-dimethoxyphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450533
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150
1-(2,6-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105188719
1-(2,6-dimethoxyphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028738
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
N-[1-(2,3-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148533

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine?
The IUPAC name of 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine (CID 113389108) is 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine is CCNC(C)c1c(OC)cccc1SC(C)CC.
What is the InChIKey of 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine?
The InChIKey is PHPJCZUBGJOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-6-11(3)18-14-10-8-9-13(17-5)15(14)12(4)16-7-2/h8-12,16H,6-7H2,1-5H3.
What are the key properties of 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine?
1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine has a molecular weight of 267.44 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-ylsulfanyl-6-methoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 113389108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).