N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

C13H15BrClNO — CID 65438424

IUPACN-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc2cc(Br)cc(Cl)c2o1
InChIInChI=1S/C13H15BrClNO/c1-8(2)6-16-7-11-4-9-3-10(14)5-12(15)13(9)17-11/h3-5,8,16H,6-7H2,1-2H3
InChIKeyMQLFBPVDLNTOQN-UHFFFAOYSA-N
MW316.63 g/mol
LogP4.59
Rot. Bonds4

About N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 65438424) has the molecular formula C13H15BrClNO and a molecular weight of 316.63 g/mol. Its IUPAC name is N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID65438424
Molecular FormulaC13H15BrClNO
Molecular Weight316.63 g/mol
Exact Mass315.00
IUPAC NameN-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc2cc(Br)cc(Cl)c2o1
InChIInChI=1S/C13H15BrClNO/c1-8(2)6-16-7-11-4-9-3-10(14)5-12(15)13(9)17-11/h3-5,8,16H,6-7H2,1-2H3
InChIKeyMQLFBPVDLNTOQN-UHFFFAOYSA-N
XLogP4.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (CID 65438424) is N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc2cc(Br)cc(Cl)c2o1.
What is the InChIKey of N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is MQLFBPVDLNTOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO/c1-8(2)6-16-7-11-4-9-3-10(14)5-12(15)13(9)17-11/h3-5,8,16H,6-7H2,1-2H3.
What are the key properties of N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 316.63 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-7-chloro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65438424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).