(4-bromo-2-tert-butyl-6-chlorophenyl)methanamine

C11H15BrClN — CID 67276400

IUPAC(4-bromo-2-tert-butyl-6-chlorophenyl)methanamine
SMILESCC(C)(C)c1cc(Br)cc(Cl)c1CN
InChIInChI=1S/C11H15BrClN/c1-11(2,3)9-4-7(12)5-10(13)8(9)6-14/h4-5H,6,14H2,1-3H3
InChIKeyZASLMLHNQDQDFS-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.86
Rot. Bonds1

About (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine

(4-bromo-2-tert-butyl-6-chlorophenyl)methanamine (PubChem CID 67276400) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-tert-butyl-6-chlorophenyl)methanamine
PubChem CID67276400
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name(4-bromo-2-tert-butyl-6-chlorophenyl)methanamine
SMILESCC(C)(C)c1cc(Br)cc(Cl)c1CN
InChIInChI=1S/C11H15BrClN/c1-11(2,3)9-4-7(12)5-10(13)8(9)6-14/h4-5H,6,14H2,1-3H3
InChIKeyZASLMLHNQDQDFS-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine?
The IUPAC name of (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine (CID 67276400) is (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine?
The canonical SMILES for (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine is CC(C)(C)c1cc(Br)cc(Cl)c1CN.
What is the InChIKey of (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine?
The InChIKey is ZASLMLHNQDQDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-11(2,3)9-4-7(12)5-10(13)8(9)6-14/h4-5H,6,14H2,1-3H3.
What are the key properties of (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine?
(4-bromo-2-tert-butyl-6-chlorophenyl)methanamine has a molecular weight of 276.60 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-tert-butyl-6-chlorophenyl)methanamine is sourced from PubChem (CID 67276400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).