1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine

C20H18FNO — CID 83988690

IUPAC1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1cc(Oc2ccccc2)ccc1F
InChIInChI=1S/C20H18FNO/c21-19-12-11-17(23-16-9-5-2-6-10-16)14-18(19)20(22)13-15-7-3-1-4-8-15/h1-12,14,20H,13,22H2
InChIKeyZWZNEYJUVAZCHK-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.86
Rot. Bonds5

About 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine

1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine (PubChem CID 83988690) has the molecular formula C20H18FNO and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine
PubChem CID83988690
Molecular FormulaC20H18FNO
Molecular Weight307.37 g/mol
Exact Mass307.14
IUPAC Name1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1cc(Oc2ccccc2)ccc1F
InChIInChI=1S/C20H18FNO/c21-19-12-11-17(23-16-9-5-2-6-10-16)14-18(19)20(22)13-15-7-3-1-4-8-15/h1-12,14,20H,13,22H2
InChIKeyZWZNEYJUVAZCHK-UHFFFAOYSA-N
XLogP4.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine?
The IUPAC name of 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine (CID 83988690) is 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine.
What is the SMILES notation for 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine?
The canonical SMILES for 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine is NC(Cc1ccccc1)c1cc(Oc2ccccc2)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine?
The InChIKey is ZWZNEYJUVAZCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO/c21-19-12-11-17(23-16-9-5-2-6-10-16)14-18(19)20(22)13-15-7-3-1-4-8-15/h1-12,14,20H,13,22H2.
What are the key properties of 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine?
1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine has a molecular weight of 307.37 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-phenoxyphenyl)-2-phenylethanamine is sourced from PubChem (CID 83988690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).