1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine

C19H25NO2S — CID 24685614

IUPAC1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNC(C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25NO2S/c1-14(2)17-7-5-16(6-8-17)13-20-15(3)18-9-11-19(12-10-18)23(4,21)22/h5-12,14-15,20H,13H2,1-4H3
InChIKeyZCUWFBKAIQGOHJ-UHFFFAOYSA-N
MW331.48 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine

1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 24685614) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
PubChem CID24685614
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
SMILESCC(C)c1ccc(CNC(C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25NO2S/c1-14(2)17-7-5-16(6-8-17)13-20-15(3)18-9-11-19(12-10-18)23(4,21)22/h5-12,14-15,20H,13H2,1-4H3
InChIKeyZCUWFBKAIQGOHJ-UHFFFAOYSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24900016
(R)-2-Methyl-1-{2-[4'-(propane-2-sulfonyl)-biphenyl-4-yl]-ethyl}-pyrrolidine
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2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine (CID 24685614) is 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is CC(C)c1ccc(CNC(C)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is ZCUWFBKAIQGOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-14(2)17-7-5-16(6-8-17)13-20-15(3)18-9-11-19(12-10-18)23(4,21)22/h5-12,14-15,20H,13H2,1-4H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine?
1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 331.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 24685614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).