1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine

C17H21NOS — CID 63819707

IUPAC1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine
SMILESCOc1ccccc1Sc1ccc(CC(C)N)cc1C
InChIInChI=1S/C17H21NOS/c1-12-10-14(11-13(2)18)8-9-16(12)20-17-7-5-4-6-15(17)19-3/h4-10,13H,11,18H2,1-3H3
InChIKeyLYMAPAUPRITDRU-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.04
Rot. Bonds5

About 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine

1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine (PubChem CID 63819707) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine
PubChem CID63819707
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine
SMILESCOc1ccccc1Sc1ccc(CC(C)N)cc1C
InChIInChI=1S/C17H21NOS/c1-12-10-14(11-13(2)18)8-9-16(12)20-17-7-5-4-6-15(17)19-3/h4-10,13H,11,18H2,1-3H3
InChIKeyLYMAPAUPRITDRU-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-(2-methoxyphenyl)sulfanyl-2,5-dimethylbenzene
CID 18738928
1-[3-methyl-4-[(2-methylphenyl)methylsulfanyl]phenyl]propan-2-amine
CID 63820088
O-[5-[(2R)-2-aminopropyl]-2-methoxyphenyl]sulfanyloxyhydroxylamine;1-ethoxy-2-methylbenzene
CID 159923774
1-[3-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63943521
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
1-[2-(2-methoxyphenyl)sulfanylphenyl]butan-2-amine
CID 63818198
1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]propan-2-amine
CID 81160439
1-[3-(2-iodophenoxy)-4-methylphenyl]propan-2-amine
CID 105411164
[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
CID 63835401
4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63543083
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine (CID 63819707) is 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine is COc1ccccc1Sc1ccc(CC(C)N)cc1C.
What is the InChIKey of 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine?
The InChIKey is LYMAPAUPRITDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12-10-14(11-13(2)18)8-9-16(12)20-17-7-5-4-6-15(17)19-3/h4-10,13H,11,18H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine?
1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)sulfanyl-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 63819707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).