(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine

C15H12BrCl2NO — CID 107987609

IUPAC(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
SMILESNC(c1ccc(Cl)cc1Br)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H12BrCl2NO/c16-13-7-9(17)1-2-11(13)14(19)12-6-10(18)5-8-3-4-20-15(8)12/h1-2,5-7,14H,3-4,19H2
InChIKeyPZGQSDRHCLVQOJ-UHFFFAOYSA-N
MW373.08 g/mol
LogP4.74
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine

(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine (PubChem CID 107987609) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
PubChem CID107987609
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC Name(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
SMILESNC(c1ccc(Cl)cc1Br)c1cc(Cl)cc2c1OCC2
InChIInChI=1S/C15H12BrCl2NO/c16-13-7-9(17)1-2-11(13)14(19)12-6-10(18)5-8-3-4-20-15(8)12/h1-2,5-7,14H,3-4,19H2
InChIKeyPZGQSDRHCLVQOJ-UHFFFAOYSA-N
XLogP4.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.08
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 107992197
(4-bromo-3-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 104545223
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-dichlorophenyl)methanamine
CID 104545363
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 104545305
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-(4-chlorophenyl)ethanamine
CID 104545138
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(4-methylsulfanylphenyl)methanamine
CID 104545238
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,5-dichlorophenyl)ethanamine
CID 105031485
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
7-[bromo-(2-bromo-6-fluorophenyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 114560746
5-bromo-7-[bromo-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543561
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine?
The IUPAC name of (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine (CID 107987609) is (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine is NC(c1ccc(Cl)cc1Br)c1cc(Cl)cc2c1OCC2.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine?
The InChIKey is PZGQSDRHCLVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c16-13-7-9(17)1-2-11(13)14(19)12-6-10(18)5-8-3-4-20-15(8)12/h1-2,5-7,14H,3-4,19H2.
What are the key properties of (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine?
(2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine has a molecular weight of 373.08 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanamine is sourced from PubChem (CID 107987609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).