1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine

C13H19ClFNO — CID 105394830

IUPAC1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine
SMILESCCCOCC(NCC)c1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFNO/c1-3-7-17-9-13(16-4-2)11-8-10(15)5-6-12(11)14/h5-6,8,13,16H,3-4,7,9H2,1-2H3
InChIKeyIRAWBVXVFFLXGI-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.56
Rot. Bonds7

About 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine

1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine (PubChem CID 105394830) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine
PubChem CID105394830
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine
SMILESCCCOCC(NCC)c1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFNO/c1-3-7-17-9-13(16-4-2)11-8-10(15)5-6-12(11)14/h5-6,8,13,16H,3-4,7,9H2,1-2H3
InChIKeyIRAWBVXVFFLXGI-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105396834
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105397468
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenoxyethanamine
CID 105394867
N-[1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216525
1-(3-chloro-4-fluorophenyl)-N-ethyl-2-propoxyethanamine
CID 79575664
N-[1-(4-chloro-2,5-difluorophenyl)-2-propoxyethyl]propan-1-amine
CID 105008662
1-(5-bromo-2-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008140
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 105394780
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 105394794
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine (CID 105394830) is 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine is CCCOCC(NCC)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine?
The InChIKey is IRAWBVXVFFLXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-3-7-17-9-13(16-4-2)11-8-10(15)5-6-12(11)14/h5-6,8,13,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine?
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine has a molecular weight of 259.75 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-ethyl-2-propoxyethanamine is sourced from PubChem (CID 105394830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).