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

C17H16BrNO2 — CID 102949449

IUPAC(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1oc2cc(Br)ccc2c1C
InChIInChI=1S/C17H16BrNO2/c1-10-12-8-7-11(18)9-15(12)21-17(10)16(19)13-5-3-4-6-14(13)20-2/h3-9,16H,19H2,1-2H3
InChIKeyXYSDDNOWFVCVNO-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.56
Rot. Bonds3

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

(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine (PubChem CID 102949449) 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)-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
PubChem CID102949449
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1C(N)c1oc2cc(Br)ccc2c1C
InChIInChI=1S/C17H16BrNO2/c1-10-12-8-7-11(18)9-15(12)21-17(10)16(19)13-5-3-4-6-14(13)20-2/h3-9,16H,19H2,1-2H3
InChIKeyXYSDDNOWFVCVNO-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)-(3-methoxyphenyl)methanamine
CID 102949451
(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
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 43149528
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(6-methoxy-3-methyl-1-benzofuran-2-yl)-thiophen-2-ylmethanamine
CID 43149529
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
(6-bromo-3-methyl-1-benzofuran-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 17012799
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 64993209
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
(4-bromo-2-methoxyphenyl)-(furan-2-yl)methanamine
CID 115368966

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine?
The IUPAC name of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine (CID 102949449) is (6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine.
What is the SMILES notation for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine?
The canonical SMILES for (6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine is COc1ccccc1C(N)c1oc2cc(Br)ccc2c1C.
What is the InChIKey of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine?
The InChIKey is XYSDDNOWFVCVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-10-12-8-7-11(18)9-15(12)21-17(10)16(19)13-5-3-4-6-14(13)20-2/h3-9,16H,19H2,1-2H3.
What are the key properties of (6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine?
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-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)-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 102949449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).