(2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine

C17H17BrFN — CID 105045054

IUPAC(2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)c1cccc(F)c1Br
InChIInChI=1S/C17H17BrFN/c18-16-14(5-2-6-15(16)19)17(20)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11,17H,1,3-4,20H2
InChIKeyJSEVPIYJNNTYOY-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.90
Rot. Bonds3

About (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine

(2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine (PubChem CID 105045054) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
PubChem CID105045054
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name(2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
SMILESNC(c1ccc(C2CCC2)cc1)c1cccc(F)c1Br
InChIInChI=1S/C17H17BrFN/c18-16-14(5-2-6-15(16)19)17(20)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11,17H,1,3-4,20H2
InChIKeyJSEVPIYJNNTYOY-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-cyclohexylphenyl)-(2-fluorophenyl)methanamine
CID 43093339
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 116506384
(2-bromo-3-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 115851739
[(2-bromo-6-fluorophenyl)-(4-cyclobutylphenyl)methyl]hydrazine
CID 105280506
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
[(4-cyclobutylphenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 105246723
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408
[(2-bromo-3-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105340099
(1R,2S)-2-amino-2-(2-bromo-3-fluorophenyl)-1-cyclopropylethanol
CID 171267994
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105044855

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine?
The IUPAC name of (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine (CID 105045054) is (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine is NC(c1ccc(C2CCC2)cc1)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine?
The InChIKey is JSEVPIYJNNTYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-16-14(5-2-6-15(16)19)17(20)13-9-7-12(8-10-13)11-3-1-4-11/h2,5-11,17H,1,3-4,20H2.
What are the key properties of (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine?
(2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine has a molecular weight of 334.23 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine is sourced from PubChem (CID 105045054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).