1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine

C18H22FNO — CID 63815425

IUPAC1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
SMILESCCc1ccc(Oc2ccc(F)cc2CC(N)CC)cc1
InChIInChI=1S/C18H22FNO/c1-3-13-5-8-17(9-6-13)21-18-10-7-15(19)11-14(18)12-16(20)4-2/h5-11,16H,3-4,12,20H2,1-2H3
InChIKeyJATOKKKGBYTSIQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.46
Rot. Bonds6

About 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine

1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine (PubChem CID 63815425) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
PubChem CID63815425
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
SMILESCCc1ccc(Oc2ccc(F)cc2CC(N)CC)cc1
InChIInChI=1S/C18H22FNO/c1-3-13-5-8-17(9-6-13)21-18-10-7-15(19)11-14(18)12-16(20)4-2/h5-11,16H,3-4,12,20H2,1-2H3
InChIKeyJATOKKKGBYTSIQ-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-bromophenoxy)-5-fluorophenyl]butan-2-amine
CID 63802588
1-[2-(3,4-dimethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63802435
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 65202987
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
1-[3-chloro-4-(4-ethylphenoxy)phenyl]butan-2-amine
CID 81159953
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 116690754
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
1-(2-phenoxyphenyl)butan-2-amine
CID 63803280
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
2-[2-(2-aminobutyl)-4-fluorophenoxy]propanenitrile
CID 107701489
1-[5-chloro-2-(3-ethylphenoxy)phenyl]butan-2-amine
CID 114862642

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine (CID 63815425) is 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine is CCc1ccc(Oc2ccc(F)cc2CC(N)CC)cc1.
What is the InChIKey of 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine?
The InChIKey is JATOKKKGBYTSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-13-5-8-17(9-6-13)21-18-10-7-15(19)11-14(18)12-16(20)4-2/h5-11,16H,3-4,12,20H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine?
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine is sourced from PubChem (CID 63815425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).