2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine

C17H21NO2S — CID 103643079

IUPAC2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-21(19,20)13-12-18-14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyKJYHTJWHTGQCGD-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.88
Rot. Bonds7

About 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine

2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine (PubChem CID 103643079) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine
PubChem CID103643079
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine
SMILESCCS(=O)(=O)CCNCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-21(19,20)13-12-18-14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyKJYHTJWHTGQCGD-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
N-(2-ethylsulfonylethyl)-4-phenylaniline
CID 62253497
4-[(2-ethylsulfonylethylamino)methyl]benzonitrile
CID 54936703
N-[(4-phenylphenyl)methyl]ethanesulfonamide
CID 110781116
methyl 4-[(2-ethylsulfonylethylamino)methyl]benzoate
CID 113245478
2-ethylsulfonyl-N-[(3-methylphenyl)methyl]ethanamine
CID 60902906
N-[(3,4-dichlorophenyl)methyl]-2-ethylsulfonylethanamine
CID 103643069
N-[(4-fluorophenyl)methyl]-2-propylsulfonylethanamine
CID 106723077
N-[2-[(4-phenylphenyl)methylamino]ethyl]acetamide
CID 28684450
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786
2-ethylsulfonyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 103643047
N-[(3-chloro-4-methylphenyl)methyl]-2-ethylsulfonylethanamine
CID 106833820

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine?
The IUPAC name of 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine (CID 103643079) is 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine?
The canonical SMILES for 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine is CCS(=O)(=O)CCNCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine?
The InChIKey is KJYHTJWHTGQCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-21(19,20)13-12-18-14-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3.
What are the key properties of 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine?
2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine has a molecular weight of 303.43 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 103643079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).