(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine

C18H18BrNO — CID 115962603

IUPAC(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc3cc(Br)cc(C)c3o2)c1
InChIInChI=1S/C18H18BrNO/c1-10-4-11(2)6-13(5-10)17(20)16-9-14-8-15(19)7-12(3)18(14)21-16/h4-9,17H,20H2,1-3H3
InChIKeyYNKIAEAQUCMRFC-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.17
Rot. Bonds2

About (5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine

(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine (PubChem CID 115962603) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is (5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine
PubChem CID115962603
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)c2cc3cc(Br)cc(C)c3o2)c1
InChIInChI=1S/C18H18BrNO/c1-10-4-11(2)6-13(5-10)17(20)16-9-14-8-15(19)7-12(3)18(14)21-16/h4-9,17H,20H2,1-3H3
InChIKeyYNKIAEAQUCMRFC-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

(5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine
CID 115962595
1-(5-bromo-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65438311
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
CID 65438612
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
CID 65439503
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65438472
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877289

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine (CID 115962603) is (5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)c2cc3cc(Br)cc(C)c3o2)c1.
What is the InChIKey of (5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine?
The InChIKey is YNKIAEAQUCMRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-10-4-11(2)6-13(5-10)17(20)16-9-14-8-15(19)7-12(3)18(14)21-16/h4-9,17H,20H2,1-3H3.
What are the key properties of (5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine?
(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-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-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 115962603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).