N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine

C18H22FNO — CID 60923866

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCOCc1ccccc1CNC(C)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-3-21-13-17-8-5-4-7-16(17)12-20-14(2)15-9-6-10-18(19)11-15/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyFVGIDDFWYFVYPR-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.21
Rot. Bonds7

About N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 60923866) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID60923866
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine
SMILESCCOCc1ccccc1CNC(C)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-3-21-13-17-8-5-4-7-16(17)12-20-14(2)15-9-6-10-18(19)11-15/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyFVGIDDFWYFVYPR-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine (CID 60923866) is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine is CCOCc1ccccc1CNC(C)c1cccc(F)c1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is FVGIDDFWYFVYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-21-13-17-8-5-4-7-16(17)12-20-14(2)15-9-6-10-18(19)11-15/h4-11,14,20H,3,12-13H2,1-2H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine?
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 60923866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).