2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine

C18H23NOS — CID 64650203

IUPAC2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)CSc1cc(C)ccc1C
InChIInChI=1S/C18H23NOS/c1-12-6-8-17(20-4)15(9-12)16(19)11-21-18-10-13(2)5-7-14(18)3/h5-10,16H,11,19H2,1-4H3
InChIKeyHTDKTAHPPCUSAN-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.41
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine

2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 64650203) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID64650203
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)CSc1cc(C)ccc1C
InChIInChI=1S/C18H23NOS/c1-12-6-8-17(20-4)15(9-12)16(19)11-21-18-10-13(2)5-7-14(18)3/h5-10,16H,11,19H2,1-4H3
InChIKeyHTDKTAHPPCUSAN-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxyphenyl)ethanamine
CID 64648241
1-(2-methoxy-5-methylphenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 64649874
2-(4-chlorophenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64622119
2-(2,5-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 55241118
2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64614931
1-(2-methoxy-5-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634603
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64627842
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64649606
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(5-fluoro-2-methoxyphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 82770281
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64649533
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine (CID 64650203) is 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(N)CSc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is HTDKTAHPPCUSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-12-6-8-17(20-4)15(9-12)16(19)11-21-18-10-13(2)5-7-14(18)3/h5-10,16H,11,19H2,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine?
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 301.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 64650203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).