1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine

C18H22FNO — CID 107665361

IUPAC1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
SMILESCCC(C)c1ccc(Oc2cccc(F)c2C(C)N)cc1
InChIInChI=1S/C18H22FNO/c1-4-12(2)14-8-10-15(11-9-14)21-17-7-5-6-16(19)18(17)13(3)20/h5-13H,4,20H2,1-3H3
InChIKeyYUKIJYBSAZIXOM-UHFFFAOYSA-N
MW287.38 g/mol
LogP5.15
Rot. Bonds5

About 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine

1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine (PubChem CID 107665361) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
PubChem CID107665361
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
SMILESCCC(C)c1ccc(Oc2cccc(F)c2C(C)N)cc1
InChIInChI=1S/C18H22FNO/c1-4-12(2)14-8-10-15(11-9-14)21-17-7-5-6-16(19)18(17)13(3)20/h5-13H,4,20H2,1-3H3
InChIKeyYUKIJYBSAZIXOM-UHFFFAOYSA-N
XLogP5.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[2-(2-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 63534177
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
2-[4-[2-(1-aminoethyl)-3-fluorophenoxy]phenyl]acetonitrile
CID 43189143
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
(1R)-1-[2-(3,4-dimethylphenoxy)-6-fluorophenyl]ethanamine
CID 30058518
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
CID 63532581
(1R)-1-[4-(2-fluorophenoxy)phenyl]propan-1-amine
CID 113247632
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
2-[(4-butan-2-ylphenoxy)-methoxymethyl]-1,3-difluorobenzene
CID 176636669
(1R)-1-[2-(3-chloro-4-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 63879513
2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
CID 26189675

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine (CID 107665361) is 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine is CCC(C)c1ccc(Oc2cccc(F)c2C(C)N)cc1.
What is the InChIKey of 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine?
The InChIKey is YUKIJYBSAZIXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-12(2)14-8-10-15(11-9-14)21-17-7-5-6-16(19)18(17)13(3)20/h5-13H,4,20H2,1-3H3.
What are the key properties of 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine?
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 107665361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).