1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine

C11H15ClFNO2 — CID 82711500

IUPAC1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine
SMILESCOCCONC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO2/c1-8(14-16-6-5-15-2)9-3-4-11(13)10(12)7-9/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyHCRDYFFEVHEMAR-UHFFFAOYSA-N
MW247.70 g/mol
LogP2.71
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine

1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine (PubChem CID 82711500) has the molecular formula C11H15ClFNO2 and a molecular weight of 247.70 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine
PubChem CID82711500
Molecular FormulaC11H15ClFNO2
Molecular Weight247.70 g/mol
Exact Mass247.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine
SMILESCOCCONC(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO2/c1-8(14-16-6-5-15-2)9-3-4-11(13)10(12)7-9/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeyHCRDYFFEVHEMAR-UHFFFAOYSA-N
XLogP2.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine (CID 82711500) is 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine is COCCONC(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine?
The InChIKey is HCRDYFFEVHEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO2/c1-8(14-16-6-5-15-2)9-3-4-11(13)10(12)7-9/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine?
1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine has a molecular weight of 247.70 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 82711500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).