1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine

C18H23NOS — CID 64659193

IUPAC1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
SMILESCc1ccc(C)c(C(N)CS(=O)Cc2ccccc2C)c1
InChIInChI=1S/C18H23NOS/c1-13-8-9-15(3)17(10-13)18(19)12-21(20)11-16-7-5-4-6-14(16)2/h4-10,18H,11-12,19H2,1-3H3
InChIKeyIMWRMAHIPIBNFG-UHFFFAOYSA-N
MW301.45 g/mol
LogP3.56
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine

1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine (PubChem CID 64659193) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
PubChem CID64659193
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine
SMILESCc1ccc(C)c(C(N)CS(=O)Cc2ccccc2C)c1
InChIInChI=1S/C18H23NOS/c1-13-8-9-15(3)17(10-13)18(19)12-21(20)11-16-7-5-4-6-14(16)2/h4-10,18H,11-12,19H2,1-3H3
InChIKeyIMWRMAHIPIBNFG-UHFFFAOYSA-N
XLogP3.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylsulfinyl]-1-(2,4-dimethylphenyl)ethanamine
CID 103290458
1-[(2-methylphenyl)methylsulfinyl]propan-2-amine
CID 64659194
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634409
2-amino-3-[(2-methylphenyl)methylsulfinyl]propanoic acid
CID 65475968
2-[(4-chlorophenyl)methylsulfinyl]-1-(2-methylphenyl)ethanamine
CID 114792211
2-(4-chlorophenyl)sulfinyl-1-(2,5-dimethylphenyl)ethanamine
CID 64660399
2-[(2-methylphenyl)methylsulfinyl]ethanamine
CID 62769461
2-[1-chloro-2-(2-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63433987
5-[(2-methylphenyl)methylsulfinyl]pentan-2-amine
CID 64659388
N-methyl-1-[(2-methylphenyl)methylsulfinyl]butan-2-amine
CID 64658220
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine (CID 64659193) is 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine is Cc1ccc(C)c(C(N)CS(=O)Cc2ccccc2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine?
The InChIKey is IMWRMAHIPIBNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-13-8-9-15(3)17(10-13)18(19)12-21(20)11-16-7-5-4-6-14(16)2/h4-10,18H,11-12,19H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine?
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine has a molecular weight of 301.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfinyl]ethanamine is sourced from PubChem (CID 64659193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).