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

C10H10BrNO — CID 83912563

IUPAC(6-bromo-2-methyl-1-benzofuran-3-yl)methanamine
SMILESCc1oc2cc(Br)ccc2c1CN
InChIInChI=1S/C10H10BrNO/c1-6-9(5-12)8-3-2-7(11)4-10(8)13-6/h2-4H,5,12H2,1H3
InChIKeyUKDWSIAGEKLMAE-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.96
Rot. Bonds1

About (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine

(6-bromo-2-methyl-1-benzofuran-3-yl)methanamine (PubChem CID 83912563) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-2-methyl-1-benzofuran-3-yl)methanamine
PubChem CID83912563
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(6-bromo-2-methyl-1-benzofuran-3-yl)methanamine
SMILESCc1oc2cc(Br)ccc2c1CN
InChIInChI=1S/C10H10BrNO/c1-6-9(5-12)8-3-2-7(11)4-10(8)13-6/h2-4H,5,12H2,1H3
InChIKeyUKDWSIAGEKLMAE-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

7-bromo-3-(chloromethyl)-2-methylchromen-4-one
CID 166500935
(5-fluoro-2-methyl-1-benzofuran-3-yl)methanamine
CID 83906292
7-bromo-2-methyldibenzofuran
CID 142427198
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 102949424
3-ethyl-2-methyl-6-phenyl-1-benzofuran
CID 167310518
[2-[(4-bromo-2-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 63217029
(5-bromo-3-tert-butyl-1-benzofuran-2-yl)methanamine
CID 62379957
3-bromo-7-tert-butyldibenzofuran
CID 134401866
[2-[(4-bromo-2-chlorophenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62486744
(6-bromo-1-methylnaphthalen-2-yl)methanamine
CID 115057582
5-bromo-2-methyl-3-[(S)-phenylsulfinyl]-1-benzofuran
CID 139072564
6-bromo-4-methoxy-2-methylxanthen-9-one
CID 139462505

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine?
The IUPAC name of (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine (CID 83912563) is (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine.
What is the SMILES notation for (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine?
The canonical SMILES for (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine is Cc1oc2cc(Br)ccc2c1CN.
What is the InChIKey of (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine?
The InChIKey is UKDWSIAGEKLMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-9(5-12)8-3-2-7(11)4-10(8)13-6/h2-4H,5,12H2,1H3.
What are the key properties of (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine?
(6-bromo-2-methyl-1-benzofuran-3-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 (6-bromo-2-methyl-1-benzofuran-3-yl)methanamine is sourced from PubChem (CID 83912563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).