1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine

C18H20FN — CID 116505911

IUPAC1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20FN/c19-17-10-4-13(5-11-17)12-18(20)16-8-6-15(7-9-16)14-2-1-3-14/h4-11,14,18H,1-3,12,20H2
InChIKeyIJRWDJULQDTHPS-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.34
Rot. Bonds4

About 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine

1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 116505911) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine
PubChem CID116505911
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(F)cc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C18H20FN/c19-17-10-4-13(5-11-17)12-18(20)16-8-6-15(7-9-16)14-2-1-3-14/h4-11,14,18H,1-3,12,20H2
InChIKeyIJRWDJULQDTHPS-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine
CID 116506014
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
[1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198396
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
1-(4-cyclopropyloxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 114519209
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
(1R)-1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 66517695
1-(4-cyclohexylphenyl)ethane-1,2-diamine
CID 77131240
1-(4-cyclobutylphenyl)-2-methylsulfonylethanamine
CID 105044925
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine (CID 116505911) is 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine is NC(Cc1ccc(F)cc1)c1ccc(C2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is IJRWDJULQDTHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN/c19-17-10-4-13(5-11-17)12-18(20)16-8-6-15(7-9-16)14-2-1-3-14/h4-11,14,18H,1-3,12,20H2.
What are the key properties of 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine?
1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 269.36 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 116505911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).