N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine

C15H21Cl2NS — CID 80627212

IUPACN-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)C1CCCS1
InChIInChI=1S/C15H21Cl2NS/c1-2-8-18-14(15-7-4-9-19-15)10-11-12(16)5-3-6-13(11)17/h3,5-6,14-15,18H,2,4,7-10H2,1H3
InChIKeyWSXHTOFTGXLOPG-UHFFFAOYSA-N
MW318.31 g/mol
LogP4.80
Rot. Bonds6

About N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine

N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine (PubChem CID 80627212) has the molecular formula C15H21Cl2NS and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
PubChem CID80627212
Molecular FormulaC15H21Cl2NS
Molecular Weight318.31 g/mol
Exact Mass317.08
IUPAC NameN-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(Cl)cccc1Cl)C1CCCS1
InChIInChI=1S/C15H21Cl2NS/c1-2-8-18-14(15-7-4-9-19-15)10-11-12(16)5-3-6-13(11)17/h3,5-6,14-15,18H,2,4,7-10H2,1H3
InChIKeyWSXHTOFTGXLOPG-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 54.80
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
N-[2-(4-ethylphenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627216
N-[2-(2,4-dichlorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626945
N-[2-(3-chloro-4-fluorophenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 103040343
N-[2-(2-chloro-6-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387328
N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80626191
N-[2-(5-chloro-2-methoxyphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80627450
N-[2-(3,5-dimethylphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80626607
N-[2-(1-methylpyrazol-4-yl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80627528
N-[2-(3-bromo-4-fluorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine
CID 80626635
N-propyl-1-(thiolan-2-yl)pent-4-yn-1-amine
CID 80627873

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine (CID 80627212) is N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1c(Cl)cccc1Cl)C1CCCS1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine?
The InChIKey is WSXHTOFTGXLOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NS/c1-2-8-18-14(15-7-4-9-19-15)10-11-12(16)5-3-6-13(11)17/h3,5-6,14-15,18H,2,4,7-10H2,1H3.
What are the key properties of N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine?
N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine has a molecular weight of 318.31 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 80627212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).