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

C16H15BrFNO — CID 43297186

IUPAC(5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCC1Cc2cc(C(N)c3cc(Br)ccc3F)ccc2O1
InChIInChI=1S/C16H15BrFNO/c1-9-6-11-7-10(2-5-15(11)20-9)16(19)13-8-12(17)3-4-14(13)18/h2-5,7-9,16H,6,19H2,1H3
InChIKeyDSLMNXDDLPSRDJ-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.96
Rot. Bonds2

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

(5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (PubChem CID 43297186) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
PubChem CID43297186
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name(5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine
SMILESCC1Cc2cc(C(N)c3cc(Br)ccc3F)ccc2O1
InChIInChI=1S/C16H15BrFNO/c1-9-6-11-7-10(2-5-15(11)20-9)16(19)13-8-12(17)3-4-14(13)18/h2-5,7-9,16H,6,19H2,1H3
InChIKeyDSLMNXDDLPSRDJ-UHFFFAOYSA-N
XLogP3.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine (CID 43297186) is (5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is CC1Cc2cc(C(N)c3cc(Br)ccc3F)ccc2O1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
The InChIKey is DSLMNXDDLPSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-9-6-11-7-10(2-5-15(11)20-9)16(19)13-8-12(17)3-4-14(13)18/h2-5,7-9,16H,6,19H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine?
(5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine has a molecular weight of 336.20 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanamine is sourced from PubChem (CID 43297186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).