1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine

C13H21NOS — CID 116830269

IUPAC1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
SMILESCOc1ccc(C(N)CSC)cc1C(C)C
InChIInChI=1S/C13H21NOS/c1-9(2)11-7-10(12(14)8-16-4)5-6-13(11)15-3/h5-7,9,12H,8,14H2,1-4H3
InChIKeyWHPBUQMGXONCOP-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.18
Rot. Bonds5

About 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine

1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine (PubChem CID 116830269) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
PubChem CID116830269
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
SMILESCOc1ccc(C(N)CSC)cc1C(C)C
InChIInChI=1S/C13H21NOS/c1-9(2)11-7-10(12(14)8-16-4)5-6-13(11)15-3/h5-7,9,12H,8,14H2,1-4H3
InChIKeyWHPBUQMGXONCOP-UHFFFAOYSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831508
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
1-(2,3-dichloro-4-methoxyphenyl)-2-methylsulfanylethanamine
CID 116830340
3-methoxy-3-(4-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 112510134
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189
3-(4-methoxy-3-propan-2-ylphenyl)butane-1-thiol
CID 83926790
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
1-chloro-1-(4-methoxy-3-propan-2-ylphenyl)-N-methylmethanamine
CID 116962055
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine?
The IUPAC name of 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine (CID 116830269) is 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine is COc1ccc(C(N)CSC)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine?
The InChIKey is WHPBUQMGXONCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9(2)11-7-10(12(14)8-16-4)5-6-13(11)15-3/h5-7,9,12H,8,14H2,1-4H3.
What are the key properties of 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine?
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine has a molecular weight of 239.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine is sourced from PubChem (CID 116830269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).