(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine

C17H16BrNO2 — CID 102949451

IUPAC(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2oc3cc(Br)ccc3c2C)c1
InChIInChI=1S/C17H16BrNO2/c1-10-14-7-6-12(18)9-15(14)21-17(10)16(19)11-4-3-5-13(8-11)20-2/h3-9,16H,19H2,1-2H3
InChIKeyIYQZXRBXDCIKFB-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.56
Rot. Bonds3

About (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine

(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine (PubChem CID 102949451) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine
PubChem CID102949451
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine
SMILESCOc1cccc(C(N)c2oc3cc(Br)ccc3c2C)c1
InChIInChI=1S/C17H16BrNO2/c1-10-14-7-6-12(18)9-15(14)21-17(10)16(19)11-4-3-5-13(8-11)20-2/h3-9,16H,19H2,1-2H3
InChIKeyIYQZXRBXDCIKFB-UHFFFAOYSA-N
XLogP4.56
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
CID 102949449
(3-bromophenyl)-(3-methoxyphenyl)methanamine
CID 59671726
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 102949424
(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
CID 43149529
(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 43149528
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 102949445
(3-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43197723
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 64993209
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(3-fluoro-4-methylphenyl)-(3-methoxyphenyl)methanamine
CID 60819510
(3-methoxyphenyl)-(5-methylfuro[3,2-b]pyridin-2-yl)methanamine
CID 79169677

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine?
The IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine (CID 102949451) is (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine.
What is the SMILES notation for (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine?
The canonical SMILES for (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine is COc1cccc(C(N)c2oc3cc(Br)ccc3c2C)c1.
What is the InChIKey of (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine?
The InChIKey is IYQZXRBXDCIKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-10-14-7-6-12(18)9-15(14)21-17(10)16(19)11-4-3-5-13(8-11)20-2/h3-9,16H,19H2,1-2H3.
What are the key properties of (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine?
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine has a molecular weight of 346.22 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine is sourced from PubChem (CID 102949451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).