(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine

C12H11BrClNO — CID 114377361

IUPAC(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Cl)ccc(Br)c2c1C1CC1
InChIInChI=1S/C12H11BrClNO/c13-7-3-4-8(14)12-11(7)10(6-1-2-6)9(5-15)16-12/h3-4,6H,1-2,5,15H2
InChIKeyDYAHPNIXEBSUOC-UHFFFAOYSA-N
MW300.58 g/mol
LogP4.18
Rot. Bonds2

About (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine

(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine (PubChem CID 114377361) has the molecular formula C12H11BrClNO and a molecular weight of 300.58 g/mol. Its IUPAC name is (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
PubChem CID114377361
Molecular FormulaC12H11BrClNO
Molecular Weight300.58 g/mol
Exact Mass298.97
IUPAC Name(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine
SMILESNCc1oc2c(Cl)ccc(Br)c2c1C1CC1
InChIInChI=1S/C12H11BrClNO/c13-7-3-4-8(14)12-11(7)10(6-1-2-6)9(5-15)16-12/h3-4,6H,1-2,5,15H2
InChIKeyDYAHPNIXEBSUOC-UHFFFAOYSA-N
XLogP4.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.58
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine (CID 114377361) is (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine is NCc1oc2c(Cl)ccc(Br)c2c1C1CC1.
What is the InChIKey of (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
The InChIKey is DYAHPNIXEBSUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNO/c13-7-3-4-8(14)12-11(7)10(6-1-2-6)9(5-15)16-12/h3-4,6H,1-2,5,15H2.
What are the key properties of (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine?
(4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine has a molecular weight of 300.58 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-7-chloro-3-cyclopropyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114377361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).