2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine

C16H23NOS2 — CID 104770568

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCC1SCCSC1C(N)CC1CCOc2ccccc21
InChIInChI=1S/C16H23NOS2/c1-11-16(20-9-8-19-11)14(17)10-12-6-7-18-15-5-3-2-4-13(12)15/h2-5,11-12,14,16H,6-10,17H2,1H3
InChIKeyHWZLCLJYHMMJKH-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.51
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine (PubChem CID 104770568) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
PubChem CID104770568
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
SMILESCC1SCCSC1C(N)CC1CCOc2ccccc21
InChIInChI=1S/C16H23NOS2/c1-11-16(20-9-8-19-11)14(17)10-12-6-7-18-15-5-3-2-4-13(12)15/h2-5,11-12,14,16H,6-10,17H2,1H3
InChIKeyHWZLCLJYHMMJKH-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)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

2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-yl)-1-(oxan-3-yl)ethanamine
CID 104770430
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 104770544
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105034323
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
1-(3,4-dihydro-2H-chromen-4-yl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 104770463
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
CID 104770116

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine (CID 104770568) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine is CC1SCCSC1C(N)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
The InChIKey is HWZLCLJYHMMJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS2/c1-11-16(20-9-8-19-11)14(17)10-12-6-7-18-15-5-3-2-4-13(12)15/h2-5,11-12,14,16H,6-10,17H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine has a molecular weight of 309.50 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine is sourced from PubChem (CID 104770568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).