1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine

C18H23NOS — CID 64634603

IUPAC1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
SMILESCOc1ccc(C)cc1C(N)CSCc1ccccc1C
InChIInChI=1S/C18H23NOS/c1-13-8-9-18(20-3)16(10-13)17(19)12-21-11-15-7-5-4-6-14(15)2/h4-10,17H,11-12,19H2,1-3H3
InChIKeySXGQMTNJIJYWCE-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.25
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine

1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine (PubChem CID 64634603) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
PubChem CID64634603
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
SMILESCOc1ccc(C)cc1C(N)CSCc1ccccc1C
InChIInChI=1S/C18H23NOS/c1-13-8-9-18(20-3)16(10-13)17(19)12-21-11-15-7-5-4-6-14(15)2/h4-10,17H,11-12,19H2,1-3H3
InChIKeySXGQMTNJIJYWCE-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634409
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874
2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64614931
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64650203
3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105221
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 64648241
1-(2-methoxy-5-methylphenyl)-2-(2-methoxyphenoxy)ethanamine
CID 16785142
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
2-(2,3-dimethylphenoxy)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43101312
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine (CID 64634603) is 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine is COc1ccc(C)cc1C(N)CSCc1ccccc1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
The InChIKey is SXGQMTNJIJYWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13-8-9-18(20-3)16(10-13)17(19)12-21-11-15-7-5-4-6-14(15)2/h4-10,17H,11-12,19H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine?
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine has a molecular weight of 301.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine is sourced from PubChem (CID 64634603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).