(3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine

C15H18BrNO — CID 114249239

IUPAC(3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2c(C)cc(C)c(Br)c2C)co1
InChIInChI=1S/C15H18BrNO/c1-8-5-9(2)14(16)11(4)13(8)15(17)12-6-10(3)18-7-12/h5-7,15H,17H2,1-4H3
InChIKeyGGVORDMJYTXFTM-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.32
Rot. Bonds2

About (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine

(3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine (PubChem CID 114249239) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine
PubChem CID114249239
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC Name(3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2c(C)cc(C)c(Br)c2C)co1
InChIInChI=1S/C15H18BrNO/c1-8-5-9(2)14(16)11(4)13(8)15(17)12-6-10(3)18-7-12/h5-7,15H,17H2,1-4H3
InChIKeyGGVORDMJYTXFTM-UHFFFAOYSA-N
XLogP4.32
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine?
The IUPAC name of (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine (CID 114249239) is (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine is Cc1cc(C(N)c2c(C)cc(C)c(Br)c2C)co1.
What is the InChIKey of (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine?
The InChIKey is GGVORDMJYTXFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-8-5-9(2)14(16)11(4)13(8)15(17)12-6-10(3)18-7-12/h5-7,15H,17H2,1-4H3.
What are the key properties of (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine?
(3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine has a molecular weight of 308.22 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4,6-trimethylphenyl)-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 114249239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).