1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine

C11H15Cl2NOS — CID 66220674

IUPAC1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-8(14)7-16-6-5-15-11-9(12)3-2-4-10(11)13/h2-4,8H,5-7,14H2,1H3
InChIKeyUYFUNRPDWJIOAS-UHFFFAOYSA-N
MW280.22 g/mol
LogP3.45
Rot. Bonds6

About 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine

1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine (PubChem CID 66220674) has the molecular formula C11H15Cl2NOS and a molecular weight of 280.22 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine
PubChem CID66220674
Molecular FormulaC11H15Cl2NOS
Molecular Weight280.22 g/mol
Exact Mass279.03
IUPAC Name1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCOc1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NOS/c1-8(14)7-16-6-5-15-11-9(12)3-2-4-10(11)13/h2-4,8H,5-7,14H2,1H3
InChIKeyUYFUNRPDWJIOAS-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66218937
1-[2-(3-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66219215
1-[3-chloro-2-(2-phenylsulfanylethoxy)phenyl]propan-2-amine
CID 115958347
1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine
CID 66218956
4-[2-(2,6-dichlorophenoxy)ethylsulfanyl]aniline
CID 39456185
2-(2,6-dichlorophenoxy)ethylhydrazine
CID 3798878
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
(2S)-2-amino-3-[2-(2-chlorophenoxy)ethylsulfanyl]propanoic acid
CID 93031277
2-amino-4-(2,6-dichlorophenoxy)butanenitrile
CID 82023057
1-(2,6-dichlorophenoxy)propan-2-ol
CID 65277723
1-(2,6-dichlorophenoxy)propan-2-ylhydrazine
CID 82291003

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine?
The IUPAC name of 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine (CID 66220674) is 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine is CC(N)CSCCOc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine?
The InChIKey is UYFUNRPDWJIOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NOS/c1-8(14)7-16-6-5-15-11-9(12)3-2-4-10(11)13/h2-4,8H,5-7,14H2,1H3.
What are the key properties of 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine?
1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine has a molecular weight of 280.22 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine is sourced from PubChem (CID 66220674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).