N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine

C15H14BrNO — CID 65438638

IUPACN-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cc3ccccc3c(Br)c2o1
InChIInChI=1S/C15H14BrNO/c1-2-17-9-12-8-11-7-10-5-3-4-6-13(10)14(16)15(11)18-12/h3-8,17H,2,9H2,1H3
InChIKeyNLBLDSXSEQSRMV-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.46
Rot. Bonds3

About N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine

N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine (PubChem CID 65438638) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine
PubChem CID65438638
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC NameN-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1cc2cc3ccccc3c(Br)c2o1
InChIInChI=1S/C15H14BrNO/c1-2-17-9-12-8-11-7-10-5-3-4-6-13(10)14(16)15(11)18-12/h3-8,17H,2,9H2,1H3
InChIKeyNLBLDSXSEQSRMV-UHFFFAOYSA-N
XLogP4.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromonaphthalen-2-yl)methyl]ethanamine
CID 54171502
1-(9-bromobenzo[f][1]benzofuran-2-yl)butan-1-amine
CID 65440802
1-(9-bromobenzo[f][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65439182
N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65440347
N-[(4-bromo-6,7-difluoro-1-benzofuran-2-yl)methyl]ethanamine
CID 107102342
N-[(4,5,7-trichloro-1-benzofuran-2-yl)methyl]ethanamine
CID 65439392
(9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine
CID 104843123
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[(4-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 117184721
2-(1-bromonaphthalen-2-yl)oxy-N-ethylpropan-1-amine
CID 55077307
N'-[3-(anthracen-9-ylmethylamino)propyl]-N-ethylbutane-1,4-diamine
CID 44561364
N-ethyl-3-(ethylaminomethyl)isoquinolin-1-amine
CID 113378121

Frequently Asked Questions

What is the IUPAC name of N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine (CID 65438638) is N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine is CCNCc1cc2cc3ccccc3c(Br)c2o1.
What is the InChIKey of N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine?
The InChIKey is NLBLDSXSEQSRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-2-17-9-12-8-11-7-10-5-3-4-6-13(10)14(16)15(11)18-12/h3-8,17H,2,9H2,1H3.
What are the key properties of N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine?
N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine has a molecular weight of 304.19 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 65438638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).