(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine

C17H18FN — CID 116505887

IUPAC(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H18FN/c18-16-10-8-15(9-11-16)17(19)14-6-4-13(5-7-14)12-2-1-3-12/h4-12,17H,1-3,19H2
InChIKeyRJBZZYLPYNSHEY-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.14
Rot. Bonds3

About (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine

(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine (PubChem CID 116505887) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
PubChem CID116505887
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC Name(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1ccc(C2CCC2)cc1
InChIInChI=1S/C17H18FN/c18-16-10-8-15(9-11-16)17(19)14-6-4-13(5-7-14)12-2-1-3-12/h4-12,17H,1-3,19H2
InChIKeyRJBZZYLPYNSHEY-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethanamine
CID 116505911
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408
(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
bis(4-fluorophenyl)methanamine
CID 10955039
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105044855
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
[1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198396
(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 116506384
(2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 105045054
(4-cyclohexylphenyl)-(2-fluorophenyl)methanamine
CID 43093339
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186
1-(4-cyclobutylphenyl)-2-(3,5-difluorophenyl)ethanamine
CID 116506014

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine?
The IUPAC name of (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine (CID 116505887) is (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)c1ccc(C2CCC2)cc1.
What is the InChIKey of (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine?
The InChIKey is RJBZZYLPYNSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c18-16-10-8-15(9-11-16)17(19)14-6-4-13(5-7-14)12-2-1-3-12/h4-12,17H,1-3,19H2.
What are the key properties of (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine?
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine has a molecular weight of 255.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 116505887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).