N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride

C11H17ClFNO — CID 3046415

IUPACN-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride
SMILESCCNCC(OC)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-3-13-8-11(14-2)9-4-6-10(12)7-5-9;/h4-7,11,13H,3,8H2,1-2H3;1H
InChIKeyIPXZAFGFJGLSNP-UHFFFAOYSA-N
MW233.71 g/mol
LogP2.54
Rot. Bonds5

About N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride

N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride (PubChem CID 3046415) has the molecular formula C11H17ClFNO and a molecular weight of 233.71 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride
PubChem CID3046415
Molecular FormulaC11H17ClFNO
Molecular Weight233.71 g/mol
Exact Mass233.10
IUPAC NameN-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride
SMILESCCNCC(OC)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H16FNO.ClH/c1-3-13-8-11(14-2)9-4-6-10(12)7-5-9;/h4-7,11,13H,3,8H2,1-2H3;1H
InChIKeyIPXZAFGFJGLSNP-UHFFFAOYSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride (CID 3046415) is N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride is CCNCC(OC)c1ccc(F)cc1.Cl.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride?
The InChIKey is IPXZAFGFJGLSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO.ClH/c1-3-13-8-11(14-2)9-4-6-10(12)7-5-9;/h4-7,11,13H,3,8H2,1-2H3;1H.
What are the key properties of N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride?
N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride has a molecular weight of 233.71 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 3046415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).