1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine

C13H19NS2 — CID 79971754

IUPAC1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)C2CSCCS2)c1
InChIInChI=1S/C13H19NS2/c1-10-3-2-4-11(7-10)8-12(14)13-9-15-5-6-16-13/h2-4,7,12-13H,5-6,8-9,14H2,1H3
InChIKeyWTUXSSZZBBGWST-UHFFFAOYSA-N
MW253.44 g/mol
LogP2.71
Rot. Bonds3

About 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine

1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 79971754) has the molecular formula C13H19NS2 and a molecular weight of 253.44 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine
PubChem CID79971754
Molecular FormulaC13H19NS2
Molecular Weight253.44 g/mol
Exact Mass253.10
IUPAC Name1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)C2CSCCS2)c1
InChIInChI=1S/C13H19NS2/c1-10-3-2-4-11(7-10)8-12(14)13-9-15-5-6-16-13/h2-4,7,12-13H,5-6,8-9,14H2,1H3
InChIKeyWTUXSSZZBBGWST-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)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

[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105249241
1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 79971420
1-cyclopropyl-2-(3-methylphenyl)ethanamine
CID 54594185
1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79971404
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794151
1-(1,4-dithian-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 79973094
2-(2-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethanamine
CID 112653875
2-(3-methylphenyl)-1-(oxan-4-yl)ethanamine
CID 62905159
2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine
CID 79971043
N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627266
1,1-difluoro-3-(3-methylphenyl)propan-2-amine
CID 84660101
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine (CID 79971754) is 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)C2CSCCS2)c1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is WTUXSSZZBBGWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS2/c1-10-3-2-4-11(7-10)8-12(14)13-9-15-5-6-16-13/h2-4,7,12-13H,5-6,8-9,14H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine?
1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 253.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 79971754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).