2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine

C17H21NO2S — CID 64653091

IUPAC2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine
SMILESCOCCS(=O)C(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-20-12-13-21(19)17(15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14/h2-11,16-17H,12-13,18H2,1H3
InChIKeyCPNCJLPPJRRGMN-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.82
Rot. Bonds7

About 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine

2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine (PubChem CID 64653091) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine
PubChem CID64653091
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine
SMILESCOCCS(=O)C(c1ccccc1)C(N)c1ccccc1
InChIInChI=1S/C17H21NO2S/c1-20-12-13-21(19)17(15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14/h2-11,16-17H,12-13,18H2,1H3
InChIKeyCPNCJLPPJRRGMN-UHFFFAOYSA-N
XLogP2.82
TPSA52.32 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[[(R)-2-methoxyethylsulfinyl]-phenylmethyl]benzene
CID 129383250
3-(2-methoxyethylsulfinyl)-3-phenylpropanenitrile
CID 64691543
(1R)-2-methoxy-1-phenylethanamine
CID 11019045
3-(3-methoxypropylsulfinyl)-3-phenylpropanenitrile
CID 64690234
1-(4-ethylphenyl)-2-(3-methoxypropylsulfinyl)propan-1-amine
CID 64658616
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
(1,6-dimethoxy-4-phenylhexan-3-yl)benzene
CID 12709498
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
2-methoxy-1-phenylbutan-1-amine
CID 43211581
4-(2-methoxy-2-oxo-1-phenylethyl)sulfinylbutanoic acid
CID 123123333
2-(4-methoxyphenyl)sulfinyl-1-phenylbutan-1-amine
CID 64657384
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine?
The IUPAC name of 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine (CID 64653091) is 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine.
What is the SMILES notation for 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine?
The canonical SMILES for 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine is COCCS(=O)C(c1ccccc1)C(N)c1ccccc1.
What is the InChIKey of 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine?
The InChIKey is CPNCJLPPJRRGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-20-12-13-21(19)17(15-10-6-3-7-11-15)16(18)14-8-4-2-5-9-14/h2-11,16-17H,12-13,18H2,1H3.
What are the key properties of 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine?
2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine has a molecular weight of 303.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfinyl)-1,2-diphenylethanamine is sourced from PubChem (CID 64653091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).