2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine

C14H21NS — CID 115259640

IUPAC2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1ccc2c(c1)CCCS2
InChIInChI=1S/C14H21NS/c1-3-15(2)9-8-12-6-7-14-13(11-12)5-4-10-16-14/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyLEYOZSQXXKIUOR-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.22
Rot. Bonds4

About 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine

2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine (PubChem CID 115259640) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine
PubChem CID115259640
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine
SMILESCCN(C)CCc1ccc2c(c1)CCCS2
InChIInChI=1S/C14H21NS/c1-3-15(2)9-8-12-6-7-14-13(11-12)5-4-10-16-14/h6-7,11H,3-5,8-10H2,1-2H3
InChIKeyLEYOZSQXXKIUOR-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-methylamino]methanethiol
CID 115228465
N-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl]-N-methylcarbamoyl chloride
CID 115195091
2-(3,4-dihydro-2H-thiochromen-6-yl)ethyl-trimethylsilane
CID 150445494
[3,4-dihydro-2H-thiochromen-6-ylmethyl(methyl)amino]methanol
CID 115229206
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258750
6-(bromomethyl)-3,4-dihydro-2H-thiochromene
CID 116932395
[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]methanol
CID 115229368
2-[2-(3,4-dihydro-2H-thiochromen-6-yl)ethylamino]acetonitrile
CID 115131281
2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
CID 116847499
[3,4-dihydro-2H-thiochromen-6-yl(methyl)amino]methanethiol
CID 115227824
N'-(3,4-dihydro-2H-thiochromen-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205876
2-[3,4-dihydro-2H-thiochromen-6-yl(methyl)amino]ethanethiol
CID 115223862

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine (CID 115259640) is 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine is CCN(C)CCc1ccc2c(c1)CCCS2.
What is the InChIKey of 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine?
The InChIKey is LEYOZSQXXKIUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-3-15(2)9-8-12-6-7-14-13(11-12)5-4-10-16-14/h6-7,11H,3-5,8-10H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine?
2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-thiochromen-6-yl)-N-ethyl-N-methylethanamine is sourced from PubChem (CID 115259640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).