1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine

C17H21NO2S — CID 64674060

IUPAC1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine
SMILESCc1cccc(CS(=O)(=O)CC(N)c2ccccc2C)c1
InChIInChI=1S/C17H21NO2S/c1-13-6-5-8-15(10-13)11-21(19,20)12-17(18)16-9-4-3-7-14(16)2/h3-10,17H,11-12,18H2,1-2H3
InChIKeyWKYVCNKVXDFAHD-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.92
Rot. Bonds5

About 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine

1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine (PubChem CID 64674060) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine
PubChem CID64674060
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine
SMILESCc1cccc(CS(=O)(=O)CC(N)c2ccccc2C)c1
InChIInChI=1S/C17H21NO2S/c1-13-6-5-8-15(10-13)11-21(19,20)12-17(18)16-9-4-3-7-14(16)2/h3-10,17H,11-12,18H2,1-2H3
InChIKeyWKYVCNKVXDFAHD-UHFFFAOYSA-N
XLogP2.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 64646620
N-methyl-1-[(3-methylphenyl)methylsulfonyl]butan-2-amine
CID 64675645
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
2-[(3-methylphenyl)methylsulfonyl]acetaldehyde
CID 66221981
1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759819
1-(2,4-dimethylphenoxy)-3-[(3-methylphenyl)methylsulfonyl]propan-2-ol
CID 47559553
2-[2-[(3-methylphenyl)methylsulfonyl]ethyl]aniline
CID 62772139
1-(2,4-difluorophenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanol
CID 47559569
1-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 104754194
1-(2,5-dimethylphenyl)-2-propan-2-ylsulfonylethanamine
CID 64676399
1-(2,4-dimethylphenyl)-2-(2-methylsulfonylethylsulfonyl)ethanamine
CID 64646609
2-bromo-5-[(3-methylphenyl)methylsulfonylmethyl]aniline
CID 115558441

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine?
The IUPAC name of 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine (CID 64674060) is 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine is Cc1cccc(CS(=O)(=O)CC(N)c2ccccc2C)c1.
What is the InChIKey of 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine?
The InChIKey is WKYVCNKVXDFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-13-6-5-8-15(10-13)11-21(19,20)12-17(18)16-9-4-3-7-14(16)2/h3-10,17H,11-12,18H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine?
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine has a molecular weight of 303.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine is sourced from PubChem (CID 64674060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).