N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine

C20H27NO2S — CID 97258597

IUPACN-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine
SMILESCCS(=O)(=O)c1ccc([C@@H](C)NC(C)(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H27NO2S/c1-5-24(22,23)19-13-11-18(12-14-19)16(2)21-20(3,4)15-17-9-7-6-8-10-17/h6-14,16,21H,5,15H2,1-4H3/t16-/m1/s1
InChIKeyFQJGSGQCOHMUDB-MRXNPFEDSA-N
MW345.51 g/mol
LogP4.15
Rot. Bonds7

About N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine

N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine (PubChem CID 97258597) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine
PubChem CID97258597
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC NameN-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine
SMILESCCS(=O)(=O)c1ccc([C@@H](C)NC(C)(C)Cc2ccccc2)cc1
InChIInChI=1S/C20H27NO2S/c1-5-24(22,23)19-13-11-18(12-14-19)16(2)21-20(3,4)15-17-9-7-6-8-10-17/h6-14,16,21H,5,15H2,1-4H3/t16-/m1/s1
InChIKeyFQJGSGQCOHMUDB-MRXNPFEDSA-N
XLogP4.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(1R)-1-[4-(2,2-dimethylpropyl)phenyl]ethyl]-2-methylpropan-2-amine
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(1S)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-(4-ethylsulfonylphenyl)ethanamine
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(1S)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-(4-ethylsulfonylphenyl)ethanamine
CID 97327682

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine (CID 97258597) is N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine is CCS(=O)(=O)c1ccc([C@@H](C)NC(C)(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine?
The InChIKey is FQJGSGQCOHMUDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-5-24(22,23)19-13-11-18(12-14-19)16(2)21-20(3,4)15-17-9-7-6-8-10-17/h6-14,16,21H,5,15H2,1-4H3/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine?
N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine has a molecular weight of 345.51 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethylsulfonylphenyl)ethyl]-2-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 97258597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).