(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine

C10H10BrNO — CID 81049217

IUPAC(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(CN)oc2c(Br)cccc12
InChIInChI=1S/C10H10BrNO/c1-6-7-3-2-4-8(11)10(7)13-9(6)5-12/h2-4H,5,12H2,1H3
InChIKeyQMVXWMZDGPYZJE-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.96
Rot. Bonds1

About (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine

(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 81049217) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID81049217
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(CN)oc2c(Br)cccc12
InChIInChI=1S/C10H10BrNO/c1-6-7-3-2-4-8(11)10(7)13-9(6)5-12/h2-4H,5,12H2,1H3
InChIKeyQMVXWMZDGPYZJE-UHFFFAOYSA-N
XLogP2.96
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Benzofuran-2-yl)ethan-1-amine
CID 3164026
2-(Aminomethyl)benzofuran
CID 19079348
(5-Bromobenzo[b]furan-2-yl)methylamine
CID 2795538
(5-Bromo-7-methyl-1-benzofuran-2-yl)methanamine
CID 63216476
(5-Methyl-1-benzofuran-2-yl)methanamine
CID 45122674
N-[(5-bromo-1-benzofuran-2-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 137652392
(5-Fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 45792463
Benzofuran, 5-bromo-2-(diethylaminomethyl)-3-phenyl-
CID 54589
2-Benzofurancarboximidamide, 5-bromo-N-hydroxy-3-methyl-
CID 9588617
1-Benzofuran-2-ylmethanamine hydrochloride
CID 22467483
2-Methyl-1-(3-methyl-1-benzofuran-2-yl)propan-1-amine
CID 43149664
5-Bromo-3-methyl-1-benzofuran-2-carboxamide
CID 43236669

Frequently Asked Questions

What is the IUPAC name of (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine (CID 81049217) is (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(CN)oc2c(Br)cccc12.
What is the InChIKey of (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is QMVXWMZDGPYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-7-3-2-4-8(11)10(7)13-9(6)5-12/h2-4H,5,12H2,1H3.
What are the key properties of (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine?
(7-bromo-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 240.10 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 81049217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).