2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine

C19H23NO3S — CID 11609894

IUPAC2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine
SMILESCNCCOC1CCCc2ccc(S(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C19H23NO3S/c1-20-12-13-23-19-9-5-6-15-10-11-17(14-18(15)19)24(21,22)16-7-3-2-4-8-16/h2-4,7-8,10-11,14,19-20H,5-6,9,12-13H2,1H3
InChIKeyFIHJBNDPFCDFLP-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.13
Rot. Bonds6

About 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine

2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine (PubChem CID 11609894) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine
PubChem CID11609894
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine
SMILESCNCCOC1CCCc2ccc(S(=O)(=O)c3ccccc3)cc21
InChIInChI=1S/C19H23NO3S/c1-20-12-13-23-19-9-5-6-15-10-11-17(14-18(15)19)24(21,22)16-7-3-2-4-8-16/h2-4,7-8,10-11,14,19-20H,5-6,9,12-13H2,1H3
InChIKeyFIHJBNDPFCDFLP-UHFFFAOYSA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine 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'-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylethane-1,2-diamine
CID 11523041
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
6-(benzenesulfonyl)-1-(3-methylbutyl)-1,2,3,4-tetrahydronaphthalene
CID 162148460
(1R)-6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 59850114
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
2-methyl-3-(methylamino)-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]propanamide
CID 119787357
6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59021826
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
1-[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-4-yl]-N-methylmethanamine
CID 11544229
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoylamino]butanoic acid
CID 122002145
1-[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;[(2R)-7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl 4-methylbenzenesulfonate
CID 160998692

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine?
The IUPAC name of 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine (CID 11609894) is 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine.
What is the SMILES notation for 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine?
The canonical SMILES for 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine is CNCCOC1CCCc2ccc(S(=O)(=O)c3ccccc3)cc21.
What is the InChIKey of 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine?
The InChIKey is FIHJBNDPFCDFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-20-12-13-23-19-9-5-6-15-10-11-17(14-18(15)19)24(21,22)16-7-3-2-4-8-16/h2-4,7-8,10-11,14,19-20H,5-6,9,12-13H2,1H3.
What are the key properties of 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine?
2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine has a molecular weight of 345.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-N-methylethanamine is sourced from PubChem (CID 11609894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).