1-(4-fluorophenyl)-1-phenoxybutan-2-amine

C16H18FNO — CID 55015456

IUPAC1-(4-fluorophenyl)-1-phenoxybutan-2-amine
SMILESCCC(N)C(Oc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c1-2-15(18)16(12-8-10-13(17)11-9-12)19-14-6-4-3-5-7-14/h3-11,15-16H,2,18H2,1H3
InChIKeyIJQFGVKYKBKZLS-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.68
Rot. Bonds5

About 1-(4-fluorophenyl)-1-phenoxybutan-2-amine

1-(4-fluorophenyl)-1-phenoxybutan-2-amine (PubChem CID 55015456) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-phenoxybutan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-phenoxybutan-2-amine
PubChem CID55015456
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(4-fluorophenyl)-1-phenoxybutan-2-amine
SMILESCCC(N)C(Oc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO/c1-2-15(18)16(12-8-10-13(17)11-9-12)19-14-6-4-3-5-7-14/h3-11,15-16H,2,18H2,1H3
InChIKeyIJQFGVKYKBKZLS-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-1-phenoxybutan-2-amine 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

1-(3,4-dichlorophenoxy)-1-(4-fluorophenyl)butan-2-amine
CID 63461965
1-(4-bromophenyl)-1-(3,5-difluorophenoxy)butan-2-amine
CID 62784834
(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylbutan-2-amine
CID 59339729
1-(4-fluorophenyl)-2-phenoxypropan-1-amine
CID 16782575
1-(3-fluorophenyl)-1-(4-methylsulfanylphenoxy)butan-2-amine
CID 63648836
1-(3-bromo-5-fluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 81313632
1-(2,3-difluorophenoxy)-1-(4-methylphenyl)butan-2-amine
CID 63036389
1-(4-fluorophenyl)-2-phenoxyethanamine;hydrochloride
CID 138991019
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
CID 107663944
1-(4-fluorophenyl)-1-phenylsulfanylbutan-2-amine
CID 55015175
1-(4-fluorophenyl)-1-(4-methylpentoxy)butan-2-amine
CID 55015028
1-[(3-chlorophenyl)methoxy]-1-(4-fluorophenyl)butan-2-amine
CID 65124629

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-phenoxybutan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-phenoxybutan-2-amine (CID 55015456) is 1-(4-fluorophenyl)-1-phenoxybutan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-phenoxybutan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-phenoxybutan-2-amine is CCC(N)C(Oc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-phenoxybutan-2-amine?
The InChIKey is IJQFGVKYKBKZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-15(18)16(12-8-10-13(17)11-9-12)19-14-6-4-3-5-7-14/h3-11,15-16H,2,18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-phenoxybutan-2-amine?
1-(4-fluorophenyl)-1-phenoxybutan-2-amine has a molecular weight of 259.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-phenoxybutan-2-amine is sourced from PubChem (CID 55015456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).