(9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine

C15H14BrNO — CID 104843123

IUPAC(9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine
SMILESCCc1c(CN)oc2c(Br)c3ccccc3cc12
InChIInChI=1S/C15H14BrNO/c1-2-10-12-7-9-5-3-4-6-11(9)14(16)15(12)18-13(10)8-17/h3-7H,2,8,17H2,1H3
InChIKeyZAXCHSNPLLLQKN-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.37
Rot. Bonds2

About (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine

(9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine (PubChem CID 104843123) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine
PubChem CID104843123
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name(9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine
SMILESCCc1c(CN)oc2c(Br)c3ccccc3cc12
InChIInChI=1S/C15H14BrNO/c1-2-10-12-7-9-5-3-4-6-11(9)14(16)15(12)18-13(10)8-17/h3-7H,2,8,17H2,1H3
InChIKeyZAXCHSNPLLLQKN-UHFFFAOYSA-N
XLogP4.37
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-bromo-3-(2-methylpropyl)benzo[f][1]benzofuran-2-carboxylic acid
CID 114359118
1-(9-bromobenzo[f][1]benzofuran-2-yl)butan-1-amine
CID 65440802
(7-bromo-3-propyl-1-benzofuran-2-yl)methanamine
CID 114376595
N-[(9-bromobenzo[f][1]benzofuran-2-yl)methyl]ethanamine
CID 65438638
[2-(aminomethyl)-3-bromonaphthalen-1-yl]methanamine
CID 68740341
1-bromonaphthalene;methanamine
CID 143041720
10-ethylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 142255982
(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine
CID 81049217
7,9-diethylbenzo[a]anthracene
CID 91740932
N-[(5-chloro-3-ethylbenzo[g][1]benzofuran-2-yl)methyl]ethanamine
CID 104843107
(5-butyl-3-ethyl-1-benzofuran-2-yl)methanamine
CID 115493278
anthracen-9-yl(triethoxy)silane;9-bromoanthracene
CID 159949350

Frequently Asked Questions

What is the IUPAC name of (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine?
The IUPAC name of (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine (CID 104843123) is (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine.
What is the SMILES notation for (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine?
The canonical SMILES for (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine is CCc1c(CN)oc2c(Br)c3ccccc3cc12.
What is the InChIKey of (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine?
The InChIKey is ZAXCHSNPLLLQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-2-10-12-7-9-5-3-4-6-11(9)14(16)15(12)18-13(10)8-17/h3-7H,2,8,17H2,1H3.
What are the key properties of (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine?
(9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine has a molecular weight of 304.19 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-bromo-3-ethylbenzo[f][1]benzofuran-2-yl)methanamine is sourced from PubChem (CID 104843123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).