(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine

C17H19BrFN — CID 43107122

IUPAC(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h4-10,16H,20H2,1-3H3
InChIKeySPSJSVRUNIJOQJ-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.93
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine

(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine (PubChem CID 43107122) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
PubChem CID43107122
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
SMILESCC(C)(C)c1ccc(C(N)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H19BrFN/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h4-10,16H,20H2,1-3H3
InChIKeySPSJSVRUNIJOQJ-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine (CID 43107122) is (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine is CC(C)(C)c1ccc(C(N)c2cc(Br)ccc2F)cc1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine?
The InChIKey is SPSJSVRUNIJOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-17(2,3)12-6-4-11(5-7-12)16(20)14-10-13(18)8-9-15(14)19/h4-10,16H,20H2,1-3H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine?
(5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine has a molecular weight of 336.25 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine is sourced from PubChem (CID 43107122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).