1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine

C20H23F2NO2 — CID 139016017

IUPAC1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)c1cc(F)ccc1Oc1cccc(F)c1
InChIInChI=1S/C20H23F2NO2/c1-14(23-13-18-6-2-3-10-24-18)19-12-16(22)8-9-20(19)25-17-7-4-5-15(21)11-17/h4-5,7-9,11-12,14,18,23H,2-3,6,10,13H2,1H3
InChIKeyYTYWBJUIVZZJEX-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.98
Rot. Bonds6

About 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine

1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 139016017) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine
PubChem CID139016017
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCCO1)c1cc(F)ccc1Oc1cccc(F)c1
InChIInChI=1S/C20H23F2NO2/c1-14(23-13-18-6-2-3-10-24-18)19-12-16(22)8-9-20(19)25-17-7-4-5-15(21)11-17/h4-5,7-9,11-12,14,18,23H,2-3,6,10,13H2,1H3
InChIKeyYTYWBJUIVZZJEX-UHFFFAOYSA-N
XLogP4.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 112700305
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014378
N-[1-[2-(3-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285606
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 75382385
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine (CID 139016017) is 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine is CC(NCC1CCCCO1)c1cc(F)ccc1Oc1cccc(F)c1.
What is the InChIKey of 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is YTYWBJUIVZZJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c1-14(23-13-18-6-2-3-10-24-18)19-12-16(22)8-9-20(19)25-17-7-4-5-15(21)11-17/h4-5,7-9,11-12,14,18,23H,2-3,6,10,13H2,1H3.
What are the key properties of 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine?
1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 347.41 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 139016017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).