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

C15H23NS2 — CID 79971420

IUPAC1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1CSCCS1
InChIInChI=1S/C15H23NS2/c1-3-16-14(15-11-17-7-8-18-15)10-13-6-4-5-12(2)9-13/h4-6,9,14-16H,3,7-8,10-11H2,1-2H3
InChIKeyDWKVPBGXXLMZDL-UHFFFAOYSA-N
MW281.49 g/mol
LogP3.36
Rot. Bonds5

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

1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine (PubChem CID 79971420) has the molecular formula C15H23NS2 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
PubChem CID79971420
Molecular FormulaC15H23NS2
Molecular Weight281.49 g/mol
Exact Mass281.13
IUPAC Name1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
SMILESCCNC(Cc1cccc(C)c1)C1CSCCS1
InChIInChI=1S/C15H23NS2/c1-3-16-14(15-11-17-7-8-18-15)10-13-6-4-5-12(2)9-13/h4-6,9,14-16H,3,7-8,10-11H2,1-2H3
InChIKeyDWKVPBGXXLMZDL-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105249241
1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethanamine
CID 79971754
2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965548
N-[1,4-dithian-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544805
1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 79965549
2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965359
N-[2-(3,4-difluorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 82923269
N-methyl-2-(3-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627266
N-ethyl-1-(4-ethylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 64776051
1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine
CID 79961105
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365
N-[1-(3-methyl-1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 115387442

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine (CID 79971420) is 1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine is CCNC(Cc1cccc(C)c1)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine?
The InChIKey is DWKVPBGXXLMZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS2/c1-3-16-14(15-11-17-7-8-18-15)10-13-6-4-5-12(2)9-13/h4-6,9,14-16H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine?
1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine has a molecular weight of 281.49 g/mol, XLogP of 3.36, 5 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)-N-ethyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 79971420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).