(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine

C18H18BrNO — CID 43149723

IUPAC(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2oc3ccc(Br)cc3c2C)c(C)c1
InChIInChI=1S/C18H18BrNO/c1-10-4-6-14(11(2)8-10)17(20)18-12(3)15-9-13(19)5-7-16(15)21-18/h4-9,17H,20H2,1-3H3
InChIKeyOTEMFBPPGIIXIO-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.17
Rot. Bonds2

About (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine

(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine (PubChem CID 43149723) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
PubChem CID43149723
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2oc3ccc(Br)cc3c2C)c(C)c1
InChIInChI=1S/C18H18BrNO/c1-10-4-6-14(11(2)8-10)17(20)18-12(3)15-9-13(19)5-7-16(15)21-18/h4-9,17H,20H2,1-3H3
InChIKeyOTEMFBPPGIIXIO-UHFFFAOYSA-N
XLogP5.17
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
CID 43505413
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 104653863
(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 54897874
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 102949424
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
CID 102949449
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
(3,4-dichlorophenyl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 43505426
(5-bromo-2-ethoxyphenyl)-(2,4-dimethylphenyl)methanamine
CID 43311344
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 28880635
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
CID 3088260

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine?
The IUPAC name of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine (CID 43149723) is (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine is Cc1ccc(C(N)c2oc3ccc(Br)cc3c2C)c(C)c1.
What is the InChIKey of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine?
The InChIKey is OTEMFBPPGIIXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-10-4-6-14(11(2)8-10)17(20)18-12(3)15-9-13(19)5-7-16(15)21-18/h4-9,17H,20H2,1-3H3.
What are the key properties of (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine?
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine has a molecular weight of 344.25 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 43149723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).