2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine

C14H23NOS — CID 107748655

IUPAC2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
SMILESCOc1ccc(C(CN)SC(C)C(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-10(2)11(3)17-14(9-15)12-5-7-13(16-4)8-6-12/h5-8,10-11,14H,9,15H2,1-4H3
InChIKeyURIIUKWEYZMFCG-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.47
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine

2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine (PubChem CID 107748655) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
PubChem CID107748655
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine
SMILESCOc1ccc(C(CN)SC(C)C(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-10(2)11(3)17-14(9-15)12-5-7-13(16-4)8-6-12/h5-8,10-11,14H,9,15H2,1-4H3
InChIKeyURIIUKWEYZMFCG-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
CID 55015675
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 102924691
1-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)-N-propylpropan-1-amine
CID 107763220
1-amino-3-(4-methoxyphenyl)butan-2-ol
CID 82076051
(3R)-3-(4-methoxyphenyl)-4-methylpentan-1-amine
CID 899124
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 106922207
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
4,4-bis(4-methoxyphenyl)butan-2-amine
CID 12821400

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine (CID 107748655) is 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine is COc1ccc(C(CN)SC(C)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine?
The InChIKey is URIIUKWEYZMFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(2)11(3)17-14(9-15)12-5-7-13(16-4)8-6-12/h5-8,10-11,14H,9,15H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine?
2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 107748655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).