[2-(4-butylphenoxy)-5-fluorophenyl]methanamine

C17H20FNO — CID 115492190

IUPAC[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
SMILESCCCCc1ccc(Oc2ccc(F)cc2CN)cc1
InChIInChI=1S/C17H20FNO/c1-2-3-4-13-5-8-16(9-6-13)20-17-10-7-15(18)11-14(17)12-19/h5-11H,2-4,12,19H2,1H3
InChIKeyNZFLFNUCIVHISP-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.42
Rot. Bonds6

About [2-(4-butylphenoxy)-5-fluorophenyl]methanamine

[2-(4-butylphenoxy)-5-fluorophenyl]methanamine (PubChem CID 115492190) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is [2-(4-butylphenoxy)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
PubChem CID115492190
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name[2-(4-butylphenoxy)-5-fluorophenyl]methanamine
SMILESCCCCc1ccc(Oc2ccc(F)cc2CN)cc1
InChIInChI=1S/C17H20FNO/c1-2-3-4-13-5-8-16(9-6-13)20-17-10-7-15(18)11-14(17)12-19/h5-11H,2-4,12,19H2,1H3
InChIKeyNZFLFNUCIVHISP-UHFFFAOYSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-butylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 115492896
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
[4-(4-butylphenoxy)-3,5-difluorophenyl]methanamine
CID 115492195
[3-(4-butylphenoxy)-4-pyridinyl]methanamine
CID 115492198
2-[5-fluoro-2-(4-propoxyphenoxy)phenyl]ethanamine
CID 63815036
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031409
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
1-[2-(4-ethylphenoxy)-5-fluorophenyl]butan-2-amine
CID 63815425

Frequently Asked Questions

What is the IUPAC name of [2-(4-butylphenoxy)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(4-butylphenoxy)-5-fluorophenyl]methanamine (CID 115492190) is [2-(4-butylphenoxy)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(4-butylphenoxy)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(4-butylphenoxy)-5-fluorophenyl]methanamine is CCCCc1ccc(Oc2ccc(F)cc2CN)cc1.
What is the InChIKey of [2-(4-butylphenoxy)-5-fluorophenyl]methanamine?
The InChIKey is NZFLFNUCIVHISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-2-3-4-13-5-8-16(9-6-13)20-17-10-7-15(18)11-14(17)12-19/h5-11H,2-4,12,19H2,1H3.
What are the key properties of [2-(4-butylphenoxy)-5-fluorophenyl]methanamine?
[2-(4-butylphenoxy)-5-fluorophenyl]methanamine has a molecular weight of 273.35 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butylphenoxy)-5-fluorophenyl]methanamine is sourced from PubChem (CID 115492190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).