1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine

C11H16ClNOS — CID 66218937

IUPAC1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCOc1ccccc1Cl
InChIInChI=1S/C11H16ClNOS/c1-9(13)8-15-7-6-14-11-5-3-2-4-10(11)12/h2-5,9H,6-8,13H2,1H3
InChIKeyKHFVGDQRQYNKPV-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.80
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine

1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine (PubChem CID 66218937) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine
PubChem CID66218937
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC Name1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine
SMILESCC(N)CSCCOc1ccccc1Cl
InChIInChI=1S/C11H16ClNOS/c1-9(13)8-15-7-6-14-11-5-3-2-4-10(11)12/h2-5,9H,6-8,13H2,1H3
InChIKeyKHFVGDQRQYNKPV-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.80
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-(2,6-dichlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66220674
(2S)-2-amino-3-[2-(2-chlorophenoxy)ethylsulfanyl]propanoic acid
CID 93031277
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
1-[2-(3-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66219215
1-(2-naphthalen-2-yloxyethylsulfanyl)propan-2-amine
CID 66218956
1-chloro-2-(6-propan-2-ylsulfanylhexoxy)benzene
CID 2232763
1-chloro-2-(4-methylpentoxy)benzene
CID 59060951
2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate
CID 8776329
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
2-(2-chlorophenoxy)ethyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate
CID 8775840
3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-methylaniline
CID 79140785
2-(2-chlorophenoxy)ethyl N'-tert-butylcarbamimidothioate
CID 8776602

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine (CID 66218937) is 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine is CC(N)CSCCOc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine?
The InChIKey is KHFVGDQRQYNKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-9(13)8-15-7-6-14-11-5-3-2-4-10(11)12/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine?
1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine has a molecular weight of 245.78 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine is sourced from PubChem (CID 66218937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).