2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

C18H23NOS — CID 64622083

IUPAC2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOc1ccc(SCC(N)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H23NOS/c1-12-9-13(2)18(14(3)10-12)17(19)11-21-16-7-5-15(20-4)6-8-16/h5-10,17H,11,19H2,1-4H3
InChIKeyDTWXXSKABFUNCQ-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.41
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine

2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 64622083) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID64622083
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOc1ccc(SCC(N)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C18H23NOS/c1-12-9-13(2)18(14(3)10-12)17(19)11-21-16-7-5-15(20-4)6-8-16/h5-10,17H,11,19H2,1-4H3
InChIKeyDTWXXSKABFUNCQ-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 66054705
(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64626405
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106848613
2-(3-methoxyphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43197699
2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43105318
2-(4-methoxyphenyl)sulfanyl-1,3,5-trimethylbenzene
CID 13052775
2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine
CID 105484979
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66071589
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine (CID 64622083) is 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is COc1ccc(SCC(N)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is DTWXXSKABFUNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-12-9-13(2)18(14(3)10-12)17(19)11-21-16-7-5-15(20-4)6-8-16/h5-10,17H,11,19H2,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine?
2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 301.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 64622083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).