2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine

C17H21NOS — CID 64626925

IUPAC2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
SMILESCOc1ccccc1SC(C)C(N)c1ccc(C)cc1
InChIInChI=1S/C17H21NOS/c1-12-8-10-14(11-9-12)17(18)13(2)20-16-7-5-4-6-15(16)19-3/h4-11,13,17H,18H2,1-3H3
InChIKeyFWPYZELXEAJLII-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.18
Rot. Bonds5

About 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine

2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine (PubChem CID 64626925) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
PubChem CID64626925
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
SMILESCOc1ccccc1SC(C)C(N)c1ccc(C)cc1
InChIInChI=1S/C17H21NOS/c1-12-8-10-14(11-9-12)17(18)13(2)20-16-7-5-4-6-15(16)19-3/h4-11,13,17H,18H2,1-3H3
InChIKeyFWPYZELXEAJLII-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-amine
CID 64619348
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64648296
3-(2-methoxyphenyl)sulfanylbutan-1-amine
CID 61291883
(2S)-3-(2-methoxyphenyl)sulfanyl-2-methylbutanoic acid
CID 67266710
2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64622029
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64633110
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64620441
1-(4-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 64625731
2-methoxy-3-methyl-1-(4-methylphenyl)butan-1-amine
CID 116719776
S-(2-methoxyphenyl) 4-methylbenzenecarbothioate
CID 71424102
1,2-dimethoxy-4-[1-(4-methylphenyl)ethyl]benzene
CID 57200665

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine (CID 64626925) is 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine is COc1ccccc1SC(C)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
The InChIKey is FWPYZELXEAJLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-8-10-14(11-9-12)17(18)13(2)20-16-7-5-4-6-15(16)19-3/h4-11,13,17H,18H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine?
2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 64626925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).