(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

C17H18BrNO — CID 65308282

IUPAC(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H18BrNO/c1-10-3-5-14(18)9-15(10)17(19)12-4-6-16-13(8-12)7-11(2)20-16/h3-6,8-9,11,17H,7,19H2,1-2H3
InChIKeyQTQXITFSWSJUNN-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.13
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine

(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 65308282) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID65308282
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C17H18BrNO/c1-10-3-5-14(18)9-15(10)17(19)12-4-6-16-13(8-12)7-11(2)20-16/h3-6,8-9,11,17H,7,19H2,1-2H3
InChIKeyQTQXITFSWSJUNN-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 65308282) is (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is Cc1ccc(Br)cc1C(N)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is QTQXITFSWSJUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-10-3-5-14(18)9-15(10)17(19)12-4-6-16-13(8-12)7-11(2)20-16/h3-6,8-9,11,17H,7,19H2,1-2H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
(5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 332.24 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 65308282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).