2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine

C17H20FNO2 — CID 16788405

IUPAC2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(N)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2/c1-12(2)21-16-7-3-13(4-8-16)17(19)11-20-15-9-5-14(18)6-10-15/h3-10,12,17H,11,19H2,1-2H3
InChIKeyBSUSWLRYJOTKPO-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.69
Rot. Bonds6

About 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine

2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 16788405) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID16788405
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccc(C(N)COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO2/c1-12(2)21-16-7-3-13(4-8-16)17(19)11-20-15-9-5-14(18)6-10-15/h3-10,12,17H,11,19H2,1-2H3
InChIKeyBSUSWLRYJOTKPO-UHFFFAOYSA-N
XLogP3.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027726
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019
2-butan-2-yloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 54944095
1-(4-propan-2-yloxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16785577
2-(3-chlorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 105144621
2-(3-methylbutoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43184192
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
2-(4-chloro-3,5-dimethylphenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027729
2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 156820821
(1S)-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230356
(1R)-4,4,4-trifluoro-1-(4-propan-2-yloxyphenyl)butan-1-amine
CID 171210773
(1S)-2-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171230371

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine (CID 16788405) is 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccc(C(N)COc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is BSUSWLRYJOTKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(2)21-16-7-3-13(4-8-16)17(19)11-20-15-9-5-14(18)6-10-15/h3-10,12,17H,11,19H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine?
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 16788405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).