1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine

C13H21NOS — CID 64611517

IUPAC1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCOc1ccccc1C(N)CSCC(C)C
InChIInChI=1S/C13H21NOS/c1-10(2)8-16-9-12(14)11-6-4-5-7-13(11)15-3/h4-7,10,12H,8-9,14H2,1-3H3
InChIKeyWNOSGIZLWPBTOI-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.08
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine

1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine (PubChem CID 64611517) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
PubChem CID64611517
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
SMILESCOc1ccccc1C(N)CSCC(C)C
InChIInChI=1S/C13H21NOS/c1-10(2)8-16-9-12(14)11-6-4-5-7-13(11)15-3/h4-7,10,12H,8-9,14H2,1-3H3
InChIKeyWNOSGIZLWPBTOI-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 82770710
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649689
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 64648241
2-(3-fluorophenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 66072926
1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64627645

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine (CID 64611517) is 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine is COc1ccccc1C(N)CSCC(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine?
The InChIKey is WNOSGIZLWPBTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(2)8-16-9-12(14)11-6-4-5-7-13(11)15-3/h4-7,10,12H,8-9,14H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine?
1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine is sourced from PubChem (CID 64611517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).