N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine

C15H25NO4S — CID 63190643

IUPACN-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCCS(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H25NO4S/c1-5-16-12(2)13-7-8-14(15(11-13)19-3)20-9-6-10-21(4,17)18/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyPATKISBSNLLVFM-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.18
Rot. Bonds9

About N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine

N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine (PubChem CID 63190643) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine
PubChem CID63190643
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine
SMILESCCNC(C)c1ccc(OCCCS(C)(=O)=O)c(OC)c1
InChIInChI=1S/C15H25NO4S/c1-5-16-12(2)13-7-8-14(15(11-13)19-3)20-9-6-10-21(4,17)18/h7-8,11-12,16H,5-6,9-10H2,1-4H3
InChIKeyPATKISBSNLLVFM-UHFFFAOYSA-N
XLogP2.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethanamine
CID 43279451
N-ethyl-1-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethanamine
CID 55112329
1-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60882670
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 43279473
N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]methanesulfonamide
CID 47062244
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfonylpropan-1-amine
CID 61020425
N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine
CID 64647101
2-[4-[1-(ethylamino)ethyl]-2-methoxyphenoxy]-N-propylacetamide
CID 43279460
1-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 111121657
1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 63191642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine (CID 63190643) is N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine is CCNC(C)c1ccc(OCCCS(C)(=O)=O)c(OC)c1.
What is the InChIKey of N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine?
The InChIKey is PATKISBSNLLVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-16-12(2)13-7-8-14(15(11-13)19-3)20-9-6-10-21(4,17)18/h7-8,11-12,16H,5-6,9-10H2,1-4H3.
What are the key properties of N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine?
N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine has a molecular weight of 315.44 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanamine is sourced from PubChem (CID 63190643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).