2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine

C14H19Cl2NOS — CID 104755861

IUPAC2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1ccc(Cl)c(Cl)c1)C1CCOC1
InChIInChI=1S/C14H19Cl2NOS/c1-2-17-14(10-5-6-18-8-10)9-19-11-3-4-12(15)13(16)7-11/h3-4,7,10,14,17H,2,5-6,8-9H2,1H3
InChIKeyFDLHQINOAGCQBW-UHFFFAOYSA-N
MW320.29 g/mol
LogP4.10
Rot. Bonds6

About 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine

2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104755861) has the molecular formula C14H19Cl2NOS and a molecular weight of 320.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
PubChem CID104755861
Molecular FormulaC14H19Cl2NOS
Molecular Weight320.29 g/mol
Exact Mass319.06
IUPAC Name2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
SMILESCCNC(CSc1ccc(Cl)c(Cl)c1)C1CCOC1
InChIInChI=1S/C14H19Cl2NOS/c1-2-17-14(10-5-6-18-8-10)9-19-11-3-4-12(15)13(16)7-11/h3-4,7,10,14,17H,2,5-6,8-9H2,1H3
InChIKeyFDLHQINOAGCQBW-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66070583
2-(3,4-dichlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 63045973
N-ethyl-1-(oxolan-3-yl)-2-phenylsulfanylethanamine
CID 65143618
N-[(3,4-dichlorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276509
N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755215
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
N-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
CID 104756053
N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755175
N-ethyl-2-(2-nitrophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755044
N-methyl-1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755241
2-(3-chlorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 62503594
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755832

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine (CID 104755861) is 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine is CCNC(CSc1ccc(Cl)c(Cl)c1)C1CCOC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is FDLHQINOAGCQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NOS/c1-2-17-14(10-5-6-18-8-10)9-19-11-3-4-12(15)13(16)7-11/h3-4,7,10,14,17H,2,5-6,8-9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine?
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 320.29 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).