2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine

C14H23NO4S — CID 64647290

IUPAC2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CS(=O)(=O)CCOC)cc1
InChIInChI=1S/C14H23NO4S/c1-3-8-19-13-6-4-12(5-7-13)14(15)11-20(16,17)10-9-18-2/h4-7,14H,3,8-11,15H2,1-2H3
InChIKeyINQJNRHVCKPGQA-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.54
Rot. Bonds9

About 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine

2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 64647290) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine
PubChem CID64647290
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CS(=O)(=O)CCOC)cc1
InChIInChI=1S/C14H23NO4S/c1-3-8-19-13-6-4-12(5-7-13)14(15)11-20(16,17)10-9-18-2/h4-7,14H,3,8-11,15H2,1-2H3
InChIKeyINQJNRHVCKPGQA-UHFFFAOYSA-N
XLogP1.54
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
methyl 3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfonylpropanoate
CID 64673779
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
2-(3-methoxypropylsulfonyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64674466
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine
CID 64647107
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
1-(2-ethylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64764761

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine (CID 64647290) is 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CS(=O)(=O)CCOC)cc1.
What is the InChIKey of 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is INQJNRHVCKPGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-3-8-19-13-6-4-12(5-7-13)14(15)11-20(16,17)10-9-18-2/h4-7,14H,3,8-11,15H2,1-2H3.
What are the key properties of 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine?
2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 301.41 g/mol, XLogP of 1.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 64647290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).