2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine

C16H19NOS — CID 55016420

IUPAC2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
SMILESCOc1cccc(SC(CN)c2ccc(C)cc2)c1
InChIInChI=1S/C16H19NOS/c1-12-6-8-13(9-7-12)16(11-17)19-15-5-3-4-14(10-15)18-2/h3-10,16H,11,17H2,1-2H3
InChIKeyNTNYLIGZFYTFQJ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.80
Rot. Bonds5

About 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine

2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine (PubChem CID 55016420) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
PubChem CID55016420
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine
SMILESCOc1cccc(SC(CN)c2ccc(C)cc2)c1
InChIInChI=1S/C16H19NOS/c1-12-6-8-13(9-7-12)16(11-17)19-15-5-3-4-14(10-15)18-2/h3-10,16H,11,17H2,1-2H3
InChIKeyNTNYLIGZFYTFQJ-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-(3-methoxyphenyl)sulfanylethanamine
CID 55015465
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
2-(4-methylphenyl)-2-phenylsulfanylethanamine
CID 55016324
2-(3-bromophenyl)sulfanyl-2-(3-methoxyphenyl)ethanamine
CID 62804598
2-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55018268
2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
CID 55015675
3-(3-methoxyphenyl)sulfanylpentan-1-amine
CID 43530332
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(4-methoxyphenyl)ethanamine
CID 102924691
2-(4-methylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 55016607
1-amino-4-(3-methoxyphenyl)sulfanylbutan-2-ol
CID 64813407
1-(3-methoxyphenyl)sulfanylethanol
CID 53443542
1-methoxy-4-[1-(4-methylphenyl)sulfanylbutyl]benzene
CID 3045430

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine (CID 55016420) is 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine is COc1cccc(SC(CN)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine?
The InChIKey is NTNYLIGZFYTFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12-6-8-13(9-7-12)16(11-17)19-15-5-3-4-14(10-15)18-2/h3-10,16H,11,17H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine?
2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)sulfanyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 55016420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).