(5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine

C17H16BrNO — CID 115962595

IUPAC(5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc2cc(Br)cc(C)c2o1
InChIInChI=1S/C17H16BrNO/c1-10-5-3-4-6-14(10)16(19)15-9-12-8-13(18)7-11(2)17(12)20-15/h3-9,16H,19H2,1-2H3
InChIKeyRVSGXAHPQYKBHP-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.86
Rot. Bonds2

About (5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine

(5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine (PubChem CID 115962595) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is (5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine
PubChem CID115962595
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name(5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc2cc(Br)cc(C)c2o1
InChIInChI=1S/C17H16BrNO/c1-10-5-3-4-6-14(10)16(19)15-9-12-8-13(18)7-11(2)17(12)20-15/h3-9,16H,19H2,1-2H3
InChIKeyRVSGXAHPQYKBHP-UHFFFAOYSA-N
XLogP4.86
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-7-methyl-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methanamine
CID 115962603
1-(5-bromo-7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65438311
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(2-bromo-5-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045635
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
(2-chlorofuran-3-yl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 106693197
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
CID 114330275
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575

Frequently Asked Questions

What is the IUPAC name of (5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine?
The IUPAC name of (5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine (CID 115962595) is (5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1cc2cc(Br)cc(C)c2o1.
What is the InChIKey of (5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine?
The InChIKey is RVSGXAHPQYKBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-10-5-3-4-6-14(10)16(19)15-9-12-8-13(18)7-11(2)17(12)20-15/h3-9,16H,19H2,1-2H3.
What are the key properties of (5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine?
(5-bromo-7-methyl-1-benzofuran-2-yl)-(2-methylphenyl)methanamine has a molecular weight of 330.23 g/mol, XLogP of 4.86, 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)-(2-methylphenyl)methanamine is sourced from PubChem (CID 115962595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).