1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine

C17H21NOS — CID 15908769

IUPAC1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine
SMILESCOc1ccc(C(N)CSCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NOS/c1-13-3-5-14(6-4-13)11-20-12-17(18)15-7-9-16(19-2)10-8-15/h3-10,17H,11-12,18H2,1-2H3
InChIKeyMTYGTBRKASPSQE-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.94
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine

1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine (PubChem CID 15908769) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine
PubChem CID15908769
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine
SMILESCOc1ccc(C(N)CSCc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NOS/c1-13-3-5-14(6-4-13)11-20-12-17(18)15-7-9-16(19-2)10-8-15/h3-10,17H,11-12,18H2,1-2H3
InChIKeyMTYGTBRKASPSQE-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
CID 64612734
(2R)-2-amino-3-[(4-methoxyphenyl)methylsulfanyl]propanoic acid
CID 7009563
2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethanamine
CID 64609924
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
CID 64627665
1-(4-methoxyphenyl)-2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 101011841
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
methyl 2-[2-amino-2-(4-methylphenyl)ethyl]sulfanylacetate
CID 64615416
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910
ethyl (3R)-3-hydroxy-4-[(4-methoxyphenyl)methylsulfanyl]butanoate
CID 10859039
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437164
2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide
CID 114234940
ethyl 2-amino-3-[(4-methylphenyl)methylsulfanyl]propanoate
CID 46769500

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine (CID 15908769) is 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine is COc1ccc(C(N)CSCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine?
The InChIKey is MTYGTBRKASPSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-13-3-5-14(6-4-13)11-20-12-17(18)15-7-9-16(19-2)10-8-15/h3-10,17H,11-12,18H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine?
1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine has a molecular weight of 287.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 15908769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).