(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine

C15H11BrClNO — CID 114321349

IUPAC(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C15H11BrClNO/c16-10-6-4-9(5-7-10)15(18)14-8-11-12(17)2-1-3-13(11)19-14/h1-8,15H,18H2
InChIKeyPRGJAJBNGGXZEE-UHFFFAOYSA-N
MW336.62 g/mol
LogP4.90
Rot. Bonds2

About (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine

(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine (PubChem CID 114321349) has the molecular formula C15H11BrClNO and a molecular weight of 336.62 g/mol. Its IUPAC name is (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine
PubChem CID114321349
Molecular FormulaC15H11BrClNO
Molecular Weight336.62 g/mol
Exact Mass334.97
IUPAC Name(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C15H11BrClNO/c16-10-6-4-9(5-7-10)15(18)14-8-11-12(17)2-1-3-13(11)19-14/h1-8,15H,18H2
InChIKeyPRGJAJBNGGXZEE-UHFFFAOYSA-N
XLogP4.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 114321372
(4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 114321381
4-[amino-(4-chloro-1-benzofuran-2-yl)methyl]benzonitrile
CID 114321373
(4-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 113277074
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
(4-chloro-1-benzofuran-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 114321348
(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106758771
2-(4-chloro-1-benzofuran-2-yl)propan-1-amine
CID 117119913
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(4-chloro-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 114321377
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
1-benzofuran-2-yl-(5-bromo-2-chlorophenyl)methanamine
CID 105043963

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine (CID 114321349) is (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine is NC(c1ccc(Br)cc1)c1cc2c(Cl)cccc2o1.
What is the InChIKey of (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine?
The InChIKey is PRGJAJBNGGXZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClNO/c16-10-6-4-9(5-7-10)15(18)14-8-11-12(17)2-1-3-13(11)19-14/h1-8,15H,18H2.
What are the key properties of (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine?
(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine has a molecular weight of 336.62 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114321349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).