1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine

C18H22FNO — CID 107523583

IUPAC1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine
SMILESCCCc1ccc(OC(C)C(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-3-4-14-5-11-17(12-6-14)21-13(2)18(20)15-7-9-16(19)10-8-15/h5-13,18H,3-4,20H2,1-2H3
InChIKeyAYNJHINWJSXIJB-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.25
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine

1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine (PubChem CID 107523583) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine
PubChem CID107523583
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine
SMILESCCCc1ccc(OC(C)C(N)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H22FNO/c1-3-4-14-5-11-17(12-6-14)21-13(2)18(20)15-7-9-16(19)10-8-15/h5-13,18H,3-4,20H2,1-2H3
InChIKeyAYNJHINWJSXIJB-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-phenoxypropan-1-amine
CID 16782575
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
1-fluoro-4-propylbenzene
CID 2737505
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
1-(4-fluorophenyl)-2-(2-methylphenoxy)propan-1-amine
CID 16792562
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
1-(4-fluorophenoxy)ethanamine
CID 68874100
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine (CID 107523583) is 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine is CCCc1ccc(OC(C)C(N)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine?
The InChIKey is AYNJHINWJSXIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-4-14-5-11-17(12-6-14)21-13(2)18(20)15-7-9-16(19)10-8-15/h5-13,18H,3-4,20H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine?
1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine is sourced from PubChem (CID 107523583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).