[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine

C18H22FNO — CID 107664056

IUPAC[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine
SMILESCCC(C)c1ccc(OCc2ccc(F)cc2CN)cc1
InChIInChI=1S/C18H22FNO/c1-3-13(2)14-5-8-18(9-6-14)21-12-15-4-7-17(19)10-16(15)11-20/h4-10,13H,3,11-12,20H2,1-2H3
InChIKeyFBAOMIJXUYKHKE-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.38
Rot. Bonds6

About [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine

[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine (PubChem CID 107664056) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine
PubChem CID107664056
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine
SMILESCCC(C)c1ccc(OCc2ccc(F)cc2CN)cc1
InChIInChI=1S/C18H22FNO/c1-3-13(2)14-5-8-18(9-6-14)21-12-15-4-7-17(19)10-16(15)11-20/h4-10,13H,3,11-12,20H2,1-2H3
InChIKeyFBAOMIJXUYKHKE-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-bromophenoxy)methyl]-5-fluorophenyl]methanamine
CID 63289311
[3-bromo-4-[(4-butan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107668350
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894045
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114345722
1-butan-2-yl-4-[[2-(chloromethyl)phenyl]methoxy]benzene
CID 139652394
(1S)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 78933004
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386
(1S)-1-[4-[(2,5-difluorophenyl)methoxy]phenyl]ethanol
CID 78930848
[4-(4-butan-2-ylphenoxy)-2-methylphenyl]methanamine
CID 107663596
[5-fluoro-2-(pentan-2-yloxymethyl)phenyl]methanamine
CID 102980854
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
[4-fluoro-2-[(4-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 64763561

Frequently Asked Questions

What is the IUPAC name of [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine (CID 107664056) is [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine is CCC(C)c1ccc(OCc2ccc(F)cc2CN)cc1.
What is the InChIKey of [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine?
The InChIKey is FBAOMIJXUYKHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-13(2)14-5-8-18(9-6-14)21-12-15-4-7-17(19)10-16(15)11-20/h4-10,13H,3,11-12,20H2,1-2H3.
What are the key properties of [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine?
[2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-butan-2-ylphenoxy)methyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 107664056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).