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

C15H23NOS2 — CID 79965549

IUPAC1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)C1CSCCS1
InChIInChI=1S/C15H23NOS2/c1-3-16-13(15-11-18-8-9-19-15)10-12-6-4-5-7-14(12)17-2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyNTOOVFQPNKYFJC-UHFFFAOYSA-N
MW297.49 g/mol
LogP3.06
Rot. Bonds6

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

1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (PubChem CID 79965549) has the molecular formula C15H23NOS2 and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
PubChem CID79965549
Molecular FormulaC15H23NOS2
Molecular Weight297.49 g/mol
Exact Mass297.12
IUPAC Name1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
SMILESCCNC(Cc1ccccc1OC)C1CSCCS1
InChIInChI=1S/C15H23NOS2/c1-3-16-13(15-11-18-8-9-19-15)10-12-6-4-5-7-14(12)17-2/h4-7,13,15-16H,3,8-11H2,1-2H3
InChIKeyNTOOVFQPNKYFJC-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965642
2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965548
1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79971404
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
1-(1,4-dithian-2-yl)-N-ethyl-2-quinolin-4-ylethanamine
CID 79961105
1-(1,4-dithian-2-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 79971420
1-cyclooctyl-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65018291
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794151
N-[(2,5-dimethoxyphenyl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 79966705
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
1-(1,4-dioxan-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 65352738
1-(2,2-dimethylcyclopentyl)-N-ethyl-2-(2-methoxyphenyl)ethanamine
CID 107179538

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine (CID 79965549) is 1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine is CCNC(Cc1ccccc1OC)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
The InChIKey is NTOOVFQPNKYFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS2/c1-3-16-13(15-11-18-8-9-19-15)10-12-6-4-5-7-14(12)17-2/h4-7,13,15-16H,3,8-11H2,1-2H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine?
1-(1,4-dithian-2-yl)-N-ethyl-2-(2-methoxyphenyl)ethanamine has a molecular weight of 297.49 g/mol, XLogP of 3.06, 6 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)-N-ethyl-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 79965549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).