2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine

C16H19NO3S — CID 16642237

IUPAC2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
SMILESCOc1cccc(C(CN)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H19NO3S/c1-12-6-8-15(9-7-12)21(18,19)16(11-17)13-4-3-5-14(10-13)20-2/h3-10,16H,11,17H2,1-2H3
InChIKeyOAIQQBTWAMSIRT-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.48
Rot. Bonds5

About 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine

2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine (PubChem CID 16642237) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
PubChem CID16642237
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
SMILESCOc1cccc(C(CN)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C16H19NO3S/c1-12-6-8-15(9-7-12)21(18,19)16(11-17)13-4-3-5-14(10-13)20-2/h3-10,16H,11,17H2,1-2H3
InChIKeyOAIQQBTWAMSIRT-UHFFFAOYSA-N
XLogP2.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167384
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
2-(4-methoxyphenyl)sulfonyl-2-phenylethanamine
CID 16642172
(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9167931
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 9168137
[(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethyl]azanium
CID 9167400
[(3-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-methylidyneazanium
CID 170922892
2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
CID 16641343
(2S)-2-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfonylethanamine
CID 9167758
[(2R)-2-(4-methoxyphenyl)sulfonyl-2-(3-methylphenyl)ethyl]azanium
CID 9161856
2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine (CID 16642237) is 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine is COc1cccc(C(CN)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine?
The InChIKey is OAIQQBTWAMSIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-6-8-15(9-7-12)21(18,19)16(11-17)13-4-3-5-14(10-13)20-2/h3-10,16H,11,17H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine?
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine has a molecular weight of 305.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine is sourced from PubChem (CID 16642237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).