2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine

C14H23NO4S — CID 63190551

IUPAC2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO4S/c1-18-10-8-15-12-13-4-6-14(7-5-13)19-9-3-11-20(2,16)17/h4-7,15H,3,8-12H2,1-2H3
InChIKeyYGSWUVCNUDKQQA-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.24
Rot. Bonds10

About 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine (PubChem CID 63190551) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine
PubChem CID63190551
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO4S/c1-18-10-8-15-12-13-4-6-14(7-5-13)19-9-3-11-20(2,16)17/h4-7,15H,3,8-12H2,1-2H3
InChIKeyYGSWUVCNUDKQQA-UHFFFAOYSA-N
XLogP1.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
4-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 79360226
3-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 54904729
[4-[(3-methoxypropylamino)methyl]phenyl] methanesulfonate
CID 3577672
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
2-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190771
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
CID 82927436
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
1-[4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114491978
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
4-[(3-methylsulfonylpropylamino)methyl]benzonitrile
CID 54906284

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine (CID 63190551) is 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine is COCCNCc1ccc(OCCCS(C)(=O)=O)cc1.
What is the InChIKey of 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine?
The InChIKey is YGSWUVCNUDKQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-18-10-8-15-12-13-4-6-14(7-5-13)19-9-3-11-20(2,16)17/h4-7,15H,3,8-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine has a molecular weight of 301.41 g/mol, XLogP of 1.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(3-methylsulfonylpropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63190551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).