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

C18H22FNO — CID 60924868

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine
SMILESCCOCc1ccccc1CNC(C)c1ccccc1F
InChIInChI=1S/C18H22FNO/c1-3-21-13-16-9-5-4-8-15(16)12-20-14(2)17-10-6-7-11-18(17)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyLLMMAPZROCKWHB-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.21
Rot. Bonds7

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

N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 60924868) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID60924868
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine
SMILESCCOCc1ccccc1CNC(C)c1ccccc1F
InChIInChI=1S/C18H22FNO/c1-3-21-13-16-9-5-4-8-15(16)12-20-14(2)17-10-6-7-11-18(17)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyLLMMAPZROCKWHB-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-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine (CID 60924868) is N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine is CCOCc1ccccc1CNC(C)c1ccccc1F.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is LLMMAPZROCKWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-21-13-16-9-5-4-8-15(16)12-20-14(2)17-10-6-7-11-18(17)19/h4-11,14,20H,3,12-13H2,1-2H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-fluorophenyl)ethanamine?
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(2-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-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 60924868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).