1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine

C13H19NOS2 — CID 79971404

IUPAC1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)C1CSCCS1
InChIInChI=1S/C13H19NOS2/c1-15-12-5-3-2-4-10(12)8-11(14)13-9-16-6-7-17-13/h2-5,11,13H,6-9,14H2,1H3
InChIKeyRCJYUAMLCCAYPZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.41
Rot. Bonds4

About 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine

1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine (PubChem CID 79971404) has the molecular formula C13H19NOS2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine
PubChem CID79971404
Molecular FormulaC13H19NOS2
Molecular Weight269.43 g/mol
Exact Mass269.09
IUPAC Name1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1CC(N)C1CSCCS1
InChIInChI=1S/C13H19NOS2/c1-15-12-5-3-2-4-10(12)8-11(14)13-9-16-6-7-17-13/h2-5,11,13H,6-9,14H2,1H3
InChIKeyRCJYUAMLCCAYPZ-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794151
1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 79965549
2-(2-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethanamine
CID 112653875
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine
CID 104794195
2-(2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424370
1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine
CID 79971754
2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanamine
CID 79971043
1,4-dithian-2-yl-[2-(2-methoxyethoxy)phenyl]methanamine
CID 104660478
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine (CID 79971404) is 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine is COc1ccccc1CC(N)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine?
The InChIKey is RCJYUAMLCCAYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS2/c1-15-12-5-3-2-4-10(12)8-11(14)13-9-16-6-7-17-13/h2-5,11,13H,6-9,14H2,1H3.
What are the key properties of 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine?
1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine has a molecular weight of 269.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 79971404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).