2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine

C14H19ClFNOS — CID 107884975

IUPAC2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C1CSCCO1
InChIInChI=1S/C14H19ClFNOS/c1-2-17-13(14-9-19-6-5-18-14)8-10-3-4-11(15)12(16)7-10/h3-4,7,13-14,17H,2,5-6,8-9H2,1H3
InChIKeyMFGKWCSPNMEAET-UHFFFAOYSA-N
MW303.83 g/mol
LogP3.13
Rot. Bonds5

About 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine

2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 107884975) has the molecular formula C14H19ClFNOS and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID107884975
Molecular FormulaC14H19ClFNOS
Molecular Weight303.83 g/mol
Exact Mass303.09
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)C1CSCCO1
InChIInChI=1S/C14H19ClFNOS/c1-2-17-13(14-9-19-6-5-18-14)8-10-3-4-11(15)12(16)7-10/h3-4,7,13-14,17H,2,5-6,8-9H2,1H3
InChIKeyMFGKWCSPNMEAET-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963248
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 103040293
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962540
N-[2-(4-chloro-3-fluorophenyl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 107891917
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(2-methylcyclopentyl)ethanamine
CID 107892586
2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963427
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106445174
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 107895212
2-(2,4-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79962732

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine (CID 107884975) is 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine is CCNC(Cc1ccc(Cl)c(F)c1)C1CSCCO1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is MFGKWCSPNMEAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNOS/c1-2-17-13(14-9-19-6-5-18-14)8-10-3-4-11(15)12(16)7-10/h3-4,7,13-14,17H,2,5-6,8-9H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine?
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 107884975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).