2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine

C14H19Cl2NS — CID 80622619

IUPAC2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)C1CCCS1
InChIInChI=1S/C14H19Cl2NS/c1-2-17-13(14-4-3-7-18-14)9-10-8-11(15)5-6-12(10)16/h5-6,8,13-14,17H,2-4,7,9H2,1H3
InChIKeyYLHPQOYNJVKQHY-UHFFFAOYSA-N
MW304.29 g/mol
LogP4.41
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine

2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine (PubChem CID 80622619) has the molecular formula C14H19Cl2NS and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
PubChem CID80622619
Molecular FormulaC14H19Cl2NS
Molecular Weight304.29 g/mol
Exact Mass303.06
IUPAC Name2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)C1CCCS1
InChIInChI=1S/C14H19Cl2NS/c1-2-17-13(14-4-3-7-18-14)9-10-8-11(15)5-6-12(10)16/h5-6,8,13-14,17H,2-4,7,9H2,1H3
InChIKeyYLHPQOYNJVKQHY-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80626755
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 113471301
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
2-(2,5-dichlorophenyl)-1-(thiolan-2-yl)ethanol
CID 80622903
N-[2-(2,4-dichlorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626945
N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
CID 80622154
N-[2-(5-chloro-2-methoxyphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80627450
N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
CID 80622972
2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963248
N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627155
2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80621687
N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80622626

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine (CID 80622619) is 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine is CCNC(Cc1cc(Cl)ccc1Cl)C1CCCS1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine?
The InChIKey is YLHPQOYNJVKQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NS/c1-2-17-13(14-4-3-7-18-14)9-10-8-11(15)5-6-12(10)16/h5-6,8,13-14,17H,2-4,7,9H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine?
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine has a molecular weight of 304.29 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80622619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).