1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine

C14H22FNO — CID 43189068

IUPAC1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine
SMILESCC(C)CC(C)Oc1ccc(F)cc1C(C)N
InChIInChI=1S/C14H22FNO/c1-9(2)7-10(3)17-14-6-5-12(15)8-13(14)11(4)16/h5-6,8-11H,7,16H2,1-4H3
InChIKeyHVPMNDMJUXEMQM-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.66
Rot. Bonds5

About 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine

1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine (PubChem CID 43189068) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine
PubChem CID43189068
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine
SMILESCC(C)CC(C)Oc1ccc(F)cc1C(C)N
InChIInChI=1S/C14H22FNO/c1-9(2)7-10(3)17-14-6-5-12(15)8-13(14)11(4)16/h5-6,8-11H,7,16H2,1-4H3
InChIKeyHVPMNDMJUXEMQM-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-fluoro-2-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78956396
tert-butyl N-[2-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 133080612
(1R)-1-[5-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003340
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 105402653
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
CID 130619359
1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 55132091
(1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine
CID 29004893
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
CID 63367361
[4-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]phenyl]methanol
CID 55182628

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine?
The IUPAC name of 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine (CID 43189068) is 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine is CC(C)CC(C)Oc1ccc(F)cc1C(C)N.
What is the InChIKey of 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine?
The InChIKey is HVPMNDMJUXEMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9(2)7-10(3)17-14-6-5-12(15)8-13(14)11(4)16/h5-6,8-11H,7,16H2,1-4H3.
What are the key properties of 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine?
1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine has a molecular weight of 239.33 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 43189068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).